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]+ 210.098556 144.4
[M+Na]+ 232.080498 155.6
[M-H]- 208.084004 142.1
[M+NH4]+ 227.125103 159.4
[M+K]+ 248.054438 151.2
[M+H-H2O]+ 192.088540 136.7
[M+HCOO]- 254.089481 163.1
[M+CH3COO]- 268.105131 184.0
[M+Na-2H]- 230.065946 149.7
[M]+ 209.09073142 144.4
[M]- 209.09182858 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