CID 3021835

Pyrrolidine, 1-(n-phenylglycyl)-

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1CCN(C1)C(=O)CNC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O/c15-12(14-8-4-5-9-14)10-13-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2

InChIKey

HGPHYGLUMJMKAI-UHFFFAOYSA-N

Compound name

2-anilino-1-pyrrolidin-1-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 204.12627 Da
Monoisotopic Mass: 1.9
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	146.4
[M+Na]+	227.11549	150.8
[M-H]-	203.11899	150.9
[M+NH4]+	222.16009	164.8
[M+K]+	243.08943	148.3
[M+H-H2O]+	187.12353	138.3
[M+HCOO]-	249.12447	168.5
[M+CH3COO]-	263.14012	185.4
[M+Na-2H]-	225.10094	150.2
[M]+	204.12572	142.4
[M]-	204.12682	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe