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

46
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.