PubChemLite - Adenosine (C10H13N5O4)

Structural Information

Molecular Formula

SMILES

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N

InChI

InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1

InChIKey

OIRDTQYFTABQOQ-KQYNXXCUSA-N

Compound name

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	268.10402	157.1
[M+Na]+	290.08596	167.3
[M-H]-	266.08946	157.8
[M+NH4]+	285.13056	169.4
[M+K]+	306.05990	164.2
[M+H-H2O]+	250.09400	149.5
[M+HCOO]-	312.09494	173.1
[M+CH3COO]-	326.11059	167.9
[M+Na-2H]-	288.07141	158.8
[M]+	267.09619	157.2
[M]-	267.09729	157.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

268.10402

157.1

[M+Na]+

290.08596

167.3

[M-H]-

266.08946

157.8

[M+NH4]+

285.13056

169.4

[M+K]+

306.05990

164.2

[M+H-H2O]+

250.09400

149.5

[M+HCOO]-

312.09494

173.1

[M+CH3COO]-

326.11059

167.9

[M+Na-2H]-

288.07141

158.8

[M]+

267.09619

157.2

[M]-

267.09729

157.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Adenosine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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