CID 79324

2-(butylamino)benzamide

Structural Information

Molecular Formula
C11H16N2O
SMILES
CCCCNC1=CC=CC=C1C(=O)N
InChI
InChI=1S/C11H16N2O/c1-2-3-8-13-10-7-5-4-6-9(10)11(12)14/h4-7,13H,2-3,8H2,1H3,(H2,12,14)
InChIKey
HVATXFMFGHVAHO-UHFFFAOYSA-N
Compound name
2-(butylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

192.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.133546 143.8
[M+Na]+ 215.115488 149.5
[M-H]- 191.118994 146.7
[M+NH4]+ 210.160093 162.5
[M+K]+ 231.089428 147.1
[M+H-H2O]+ 175.123530 137.2
[M+HCOO]- 237.124471 168.5
[M+CH3COO]- 251.140121 189.7
[M+Na-2H]- 213.100936 148.4
[M]+ 192.12572142 142.3
[M]- 192.12681858 142.3
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

patents stripe