CID 18975958

4-(aminomethyl)-n-butylbenzamide hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₈N₂O

SMILES

CCCCNC(=O)C1=CC=C(C=C1)CN

InChI

InChI=1S/C12H18N2O/c1-2-3-8-14-12(15)11-6-4-10(9-13)5-7-11/h4-7H,2-3,8-9,13H2,1H3,(H,14,15)

InChIKey

LDAMZMRSSDWFNA-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-N-butylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 206.1419 Da
Monoisotopic Mass: 1.3
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]+	207.149176	148.6
[M+Na]+	229.131118	154.0
[M-H]-	205.134624	151.4
[M+NH4]+	224.175723	166.8
[M+K]+	245.105058	151.3
[M+H-H2O]+	189.139160	141.8
[M+HCOO]-	251.140101	173.0
[M+CH3COO]-	265.155751	192.0
[M+Na-2H]-	227.116566	152.7
[M]+	206.14135142	147.5
[M]-	206.14244858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe