CID 3118938

N-(1-methylbutyl)benzamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CCCC(C)NC(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H17NO/c1-3-7-10(2)13-12(14)11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3,(H,13,14)
InChIKey
GQISYERWBJFNPY-UHFFFAOYSA-N
Compound name
N-pentan-2-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

47
Patents

191.13101 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 145.1
[M+Na]+ 214.12023 150.2
[M-H]- 190.12373 148.3
[M+NH4]+ 209.16483 164.2
[M+K]+ 230.09417 148.4
[M+H-H2O]+ 174.12827 138.7
[M+HCOO]- 236.12921 168.2
[M+CH3COO]- 250.14486 187.4
[M+Na-2H]- 212.10568 149.5
[M]+ 191.13046 144.7
[M]- 191.13156 144.7
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