CID 135440068

3'-deoxyguanosine

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1
InChIKey
OROIAVZITJBGSM-OBXARNEKSA-N
Compound name
2-amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1386
Patents

267.09674 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10402 157.1
[M+Na]+ 290.08596 167.6
[M-H]- 266.08946 157.8
[M+NH4]+ 285.13056 169.3
[M+K]+ 306.05990 163.8
[M+H-H2O]+ 250.09400 149.5
[M+HCOO]- 312.09494 173.2
[M+CH3COO]- 326.11059 167.9
[M+Na-2H]- 288.07141 158.7
[M]+ 267.09619 156.5
[M]- 267.09729 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe