CID 135511112

D-cyclohexenyl g

Structural Information

Molecular Formula
C12H15N5O2
SMILES
C1C[C@@H](C=C[C@@H]1CO)N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C12H15N5O2/c13-12-15-10-9(11(19)16-12)14-6-17(10)8-3-1-7(5-18)2-4-8/h1,3,6-8,18H,2,4-5H2,(H3,13,15,16,19)/t7-,8+/m0/s1
InChIKey
QFCDNXFAULBNFC-JGVFFNPUSA-N
Compound name
2-amino-9-[(1S,4R)-4-(hydroxymethyl)cyclohex-2-en-1-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

261.1226 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12988 158.9
[M+Na]+ 284.11182 168.8
[M-H]- 260.11532 159.2
[M+NH4]+ 279.15642 171.4
[M+K]+ 300.08576 162.6
[M+H-H2O]+ 244.11986 149.8
[M+HCOO]- 306.12080 175.7
[M+CH3COO]- 320.13645 169.2
[M+Na-2H]- 282.09727 163.0
[M]+ 261.12205 156.0
[M]- 261.12315 156.0
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

No patent data available for this compound.