CID 135436160

Nsc710663

Structural Information

Molecular Formula
C12H15N5O2
SMILES
C[C@@]1(C[C@H](C=C1)N2C=NC3=C2N=C(NC3=O)N)CO
InChI
InChI=1S/C12H15N5O2/c1-12(5-18)3-2-7(4-12)17-6-14-8-9(17)15-11(13)16-10(8)19/h2-3,6-7,18H,4-5H2,1H3,(H3,13,15,16,19)/t7-,12+/m0/s1
InChIKey
XYJSXDURBYZEDC-JVXZTZIISA-N
Compound name
2-amino-9-[(1R,4S)-4-(hydroxymethyl)-4-methylcyclopent-2-en-1-yl]-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1226 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12988 156.5
[M+Na]+ 284.11182 168.2
[M-H]- 260.11532 158.1
[M+NH4]+ 279.15642 173.2
[M+K]+ 300.08576 162.7
[M+H-H2O]+ 244.11986 148.7
[M+HCOO]- 306.12080 175.8
[M+CH3COO]- 320.13645 168.3
[M+Na-2H]- 282.09727 160.1
[M]+ 261.12205 156.4
[M]- 261.12315 156.4
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

No patent data available for this compound.