CID 3000233

126199-02-8

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@]([C@H](O3)CO)(CO)O)N
InChI
InChI=1S/C10H13N5O4/c11-7-6-8(13-3-12-7)15(4-14-6)9-10(18,2-17)5(1-16)19-9/h3-5,9,16-18H,1-2H2,(H2,11,12,13)/t5-,9-,10-/m1/s1
InChIKey
MCPYANYIZXDZFD-UAINPKIQSA-N
Compound name
(2R,3R,4R)-2-(6-aminopurin-9-yl)-3,4-bis(hydroxymethyl)oxetan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.09674 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 159.4
[M+Na]+ 290.08596 168.1
[M-H]- 266.08946 159.3
[M+NH4]+ 285.13056 165.3
[M+K]+ 306.05990 168.3
[M+H-H2O]+ 250.09400 146.2
[M+HCOO]- 312.09494 174.0
[M+CH3COO]- 326.11059 194.5
[M+Na-2H]- 288.07141 164.3
[M]+ 267.09619 169.2
[M]- 267.09729 169.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.