CID 95140

N-(2-methylpropyl)benzamide

Structural Information

Molecular Formula
C11H15NO
SMILES
CC(C)CNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H15NO/c1-9(2)8-12-11(13)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
InChIKey
ZABMXPJUCKVZSH-UHFFFAOYSA-N
Compound name
N-(2-methylpropyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

250
Patents

177.11537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.122646 140.4
[M+Na]+ 200.104588 145.9
[M-H]- 176.108094 143.8
[M+NH4]+ 195.149193 160.1
[M+K]+ 216.078528 144.4
[M+H-H2O]+ 160.112630 134.2
[M+HCOO]- 222.113571 163.8
[M+CH3COO]- 236.129221 184.4
[M+Na-2H]- 198.090036 145.3
[M]+ 177.11482142 139.7
[M]- 177.11591858 139.7
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