CID 3018834

4-((benzyl)amino)butyramide

Structural Information

Molecular Formula

C₁₁H₁₆N₂O

SMILES

C1=CC=C(C=C1)CNCCCC(=O)N

InChI

InChI=1S/C11H16N2O/c12-11(14)7-4-8-13-9-10-5-2-1-3-6-10/h1-3,5-6,13H,4,7-9H2,(H2,12,14)

InChIKey

BSVWDTBXKSAPGF-UHFFFAOYSA-N

Compound name

4-(benzylamino)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 192.12627 Da
Monoisotopic Mass: 0.5
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]+	193.133546	143.7
[M+Na]+	215.115488	148.5
[M-H]-	191.118994	146.3
[M+NH4]+	210.160093	162.1
[M+K]+	231.089428	146.0
[M+H-H2O]+	175.123530	136.8
[M+HCOO]-	237.124471	168.5
[M+CH3COO]-	251.140121	188.5
[M+Na-2H]-	213.100936	149.1
[M]+	192.12572142	141.9
[M]-	192.12681858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe