CID 17750155

115687-29-1

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CN(CC1C(=O)N)CC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O/c13-12(15)11-6-7-14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)

InChIKey

HNAGHMKIPMKKBB-UHFFFAOYSA-N

Compound name

1-benzylpyrrolidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54674
Patents: 204.12627 Da
Monoisotopic Mass: 0.8
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]+	205.13355	147.5
[M+Na]+	227.11549	157.7
[M+NH4]+	222.16009	155.5
[M+K]+	243.08943	153.4
[M-H]-	203.11899	150.6
[M+Na-2H]-	225.10094	153.6
[M]+	204.12572	149.5
[M]-	204.12682	149.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe