CID 53876815

2241129-83-7

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

C1CC2C(CC(=O)N2)NC1

InChI

InChI=1S/C7H12N2O/c10-7-4-6-5(9-7)2-1-3-8-6/h5-6,8H,1-4H2,(H,9,10)

InChIKey

DXFSSDDPQPFJJG-UHFFFAOYSA-N

Compound name

1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 140.09496 Da
Monoisotopic Mass: -0.6
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]+	141.10224	130.8
[M+Na]+	163.08418	139.8
[M+NH4]+	158.12878	138.9
[M+K]+	179.05812	136.3
[M-H]-	139.08768	130.2
[M+Na-2H]-	161.06963	133.0
[M]+	140.09441	131.4
[M]-	140.09551	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe