CID 5319799

76884-47-4

Structural Information

Molecular Formula

C₈H₁₀N₂O

SMILES

CC1=CN2CCCC2=NC1=O

InChI

InChI=1S/C8H10N2O/c1-6-5-10-4-2-3-7(10)9-8(6)11/h5H,2-4H2,1H3

InChIKey

KRYURACLPUIPBO-UHFFFAOYSA-N

Compound name

3-methyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 150.07932 Da
Monoisotopic Mass: -0.1
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]+	151.086596	128.3
[M+Na]+	173.068538	138.7
[M-H]-	149.072044	130.6
[M+NH4]+	168.113143	150.2
[M+K]+	189.042478	136.3
[M+H-H2O]+	133.076580	121.7
[M+HCOO]-	195.077521	150.2
[M+CH3COO]-	209.093171	174.9
[M+Na-2H]-	171.053986	135.1
[M]+	150.07877142	128.5
[M]-	150.07986858	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe