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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	178.097486	144.4
[M+Na]+	200.079428	155.5
[M-H]-	176.082934	146.3
[M+NH4]+	195.124033	157.3
[M+K]+	216.053368	149.0
[M+H-H2O]+	160.087470	136.8
[M+HCOO]-	222.088411	162.0
[M+CH3COO]-	236.104061	155.8
[M+Na-2H]-	198.064876	149.1
[M]+	177.08966142	142.8
[M]-	177.09075858	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.