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]+ 193.13355 143.8
[M+Na]+ 215.11549 149.5
[M-H]- 191.11899 146.7
[M+NH4]+ 210.16009 162.5
[M+K]+ 231.08943 147.1
[M+H-H2O]+ 175.12353 137.2
[M+HCOO]- 237.12447 168.5
[M+CH3COO]- 251.14012 189.7
[M+Na-2H]- 213.10094 148.4
[M]+ 192.12572 142.3
[M]- 192.12682 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