CID 16227894

[4-(pyrrolidine-1-carbonyl)phenyl]methanamine

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

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

InChI

InChI=1S/C12H16N2O/c13-9-10-3-5-11(6-4-10)12(15)14-7-1-2-8-14/h3-6H,1-2,7-9,13H2

InChIKey

PNVVNCBOVQVCIR-UHFFFAOYSA-N

Compound name

[4-(aminomethyl)phenyl]-pyrrolidin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 204.12627 Da
Monoisotopic Mass: 0.7
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]+	205.133546	146.8
[M+Na]+	227.115488	152.2
[M-H]-	203.118994	151.2
[M+NH4]+	222.160093	165.4
[M+K]+	243.089428	149.3
[M+H-H2O]+	187.123530	139.1
[M+HCOO]-	249.124471	168.3
[M+CH3COO]-	263.140121	185.9
[M+Na-2H]-	225.100936	148.9
[M]+	204.12572142	142.3
[M]-	204.12681858	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe