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: 5
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]+	151.08660	128.3
[M+Na]+	173.06854	138.7
[M-H]-	149.07204	130.6
[M+NH4]+	168.11314	150.2
[M+K]+	189.04248	136.3
[M+H-H2O]+	133.07658	121.7
[M+HCOO]-	195.07752	150.2
[M+CH3COO]-	209.09317	174.9
[M+Na-2H]-	171.05399	135.1
[M]+	150.07877	128.5
[M]-	150.07987	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe