CID 43193026

4-[(butan-2-yl)amino]benzamide

Structural Information

Molecular Formula
C11H16N2O
SMILES
CCC(C)NC1=CC=C(C=C1)C(=O)N
InChI
InChI=1S/C11H16N2O/c1-3-8(2)13-10-6-4-9(5-7-10)11(12)14/h4-8,13H,3H2,1-2H3,(H2,12,14)
InChIKey
WOCLOMZGFNLNES-UHFFFAOYSA-N
Compound name
4-(butan-2-ylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.12627 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 144.5
[M+Na]+ 215.115488 150.0
[M-H]- 191.118994 147.6
[M+NH4]+ 210.160093 163.1
[M+K]+ 231.089428 148.1
[M+H-H2O]+ 175.123530 138.0
[M+HCOO]- 237.124471 168.2
[M+CH3COO]- 251.140121 190.5
[M+Na-2H]- 213.100936 147.8
[M]+ 192.12572142 142.4
[M]- 192.12681858 142.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.