CID 79772

N-(4-aminobutyl)benzamide

Structural Information

Molecular Formula
C11H16N2O
SMILES
C1=CC=C(C=C1)C(=O)NCCCCN
InChI
InChI=1S/C11H16N2O/c12-8-4-5-9-13-11(14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,12H2,(H,13,14)
InChIKey
VMQHGBUSMBFWHN-UHFFFAOYSA-N
Compound name
N-(4-aminobutyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

192.12627 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 144.0
[M+Na]+ 215.115488 148.9
[M-H]- 191.118994 146.6
[M+NH4]+ 210.160093 162.4
[M+K]+ 231.089428 146.4
[M+H-H2O]+ 175.123530 137.1
[M+HCOO]- 237.124471 168.8
[M+CH3COO]- 251.140121 187.8
[M+Na-2H]- 213.100936 149.4
[M]+ 192.12572142 142.1
[M]- 192.12681858 142.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe