CID 136108516

2094814-77-2

Structural Information

Molecular Formula
C9H11N3O
SMILES
C1CC1C2=NC3=C(CNC3)C(=O)N2
InChI
InChI=1S/C9H11N3O/c13-9-6-3-10-4-7(6)11-8(12-9)5-1-2-5/h5,10H,1-4H2,(H,11,12,13)
InChIKey
OIQUBDUTWLXJCX-UHFFFAOYSA-N
Compound name
2-cyclopropyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.09021 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.09749 140.9
[M+Na]+ 200.07943 154.2
[M+NH4]+ 195.12403 149.1
[M+K]+ 216.05337 151.4
[M-H]- 176.08293 148.6
[M+Na-2H]- 198.06488 148.3
[M]+ 177.08966 145.8
[M]- 177.09076 145.8
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.