CID 62370906

1250178-52-9

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CC(=O)N(C1)CC2CCNC2

InChI

InChI=1S/C9H16N2O/c12-9-2-1-5-11(9)7-8-3-4-10-6-8/h8,10H,1-7H2

InChIKey

UOEQVGGEGKRRLM-UHFFFAOYSA-N

Compound name

1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 168.12627 Da
Monoisotopic Mass: -0.3
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]+	169.13355	140.0
[M+Na]+	191.11549	145.1
[M-H]-	167.11899	141.8
[M+NH4]+	186.16009	160.1
[M+K]+	207.08943	142.9
[M+H-H2O]+	151.12353	132.5
[M+HCOO]-	213.12447	158.0
[M+CH3COO]-	227.14012	173.9
[M+Na-2H]-	189.10094	140.1
[M]+	168.12572	133.4
[M]-	168.12682	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe