CID 135415591

2-amino-9-cyclopenta-1,3-dien-1-yl-1h-purin-6-one

Structural Information

Molecular Formula
C10H9N5O
SMILES
C1C=CC=C1N2C=NC3=C2N=C(NC3=O)N
InChI
InChI=1S/C10H9N5O/c11-10-13-8-7(9(16)14-10)12-5-15(8)6-3-1-2-4-6/h1-3,5H,4H2,(H3,11,13,14,16)
InChIKey
VOAYVGSFMKOXPZ-UHFFFAOYSA-N
Compound name
2-amino-9-cyclopenta-1,3-dien-1-yl-1H-purin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.0807 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.08798 143.4
[M+Na]+ 238.06992 155.7
[M-H]- 214.07342 146.2
[M+NH4]+ 233.11452 160.4
[M+K]+ 254.04386 150.5
[M+H-H2O]+ 198.07796 135.0
[M+HCOO]- 260.07890 166.1
[M+CH3COO]- 274.09455 156.6
[M+Na-2H]- 236.05537 148.9
[M]+ 215.08015 143.7
[M]- 215.08125 143.7
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.