CID 472634

194606-97-8

Structural Information

Molecular Formula
C11H13N5O
SMILES
CO[C@H]1C[C@H](C=C1)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H13N5O/c1-17-8-3-2-7(4-8)16-6-15-9-10(12)13-5-14-11(9)16/h2-3,5-8H,4H2,1H3,(H2,12,13,14)/t7-,8+/m0/s1
InChIKey
OMOAJIOJPLKBFH-JGVFFNPUSA-N
Compound name
9-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

231.11201 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11929 149.1
[M+Na]+ 254.10123 160.0
[M-H]- 230.10473 152.5
[M+NH4]+ 249.14583 166.1
[M+K]+ 270.07517 156.3
[M+H-H2O]+ 214.10927 139.9
[M+HCOO]- 276.11021 171.2
[M+CH3COO]- 290.12586 161.9
[M+Na-2H]- 252.08668 153.4
[M]+ 231.11146 150.7
[M]- 231.11256 150.7
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.