CID 135434129

9-(2-hydroxypropyl)guanine

Structural Information

Molecular Formula
C8H11N5O2
SMILES
C[C@H](CN1C=NC2=C1N=C(NC2=O)N)O
InChI
InChI=1S/C8H11N5O2/c1-4(14)2-13-3-10-5-6(13)11-8(9)12-7(5)15/h3-4,14H,2H2,1H3,(H3,9,11,12,15)/t4-/m1/s1
InChIKey
JRPUCMYAPJNJJU-SCSAIBSYSA-N
Compound name
2-amino-9-[(2R)-2-hydroxypropyl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

209.09128 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09856 144.4
[M+Na]+ 232.08050 155.6
[M-H]- 208.08400 142.1
[M+NH4]+ 227.12510 159.4
[M+K]+ 248.05444 151.2
[M+H-H2O]+ 192.08854 136.7
[M+HCOO]- 254.08948 163.1
[M+CH3COO]- 268.10513 184.0
[M+Na-2H]- 230.06595 149.7
[M]+ 209.09073 144.4
[M]- 209.09183 144.4
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

patents stripe