CID 4343020

2-methyl-n-(3-methylcyclohexyl)benzamide

Structural Information

Molecular Formula
C15H21NO
SMILES
CC1CCCC(C1)NC(=O)C2=CC=CC=C2C
InChI
InChI=1S/C15H21NO/c1-11-6-5-8-13(10-11)16-15(17)14-9-4-3-7-12(14)2/h3-4,7,9,11,13H,5-6,8,10H2,1-2H3,(H,16,17)
InChIKey
VRNVLOAFVPQDRX-UHFFFAOYSA-N
Compound name
2-methyl-N-(3-methylcyclohexyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 154.8
[M+Na]+ 254.15153 159.0
[M-H]- 230.15503 160.7
[M+NH4]+ 249.19613 172.3
[M+K]+ 270.12547 155.9
[M+H-H2O]+ 214.15957 147.5
[M+HCOO]- 276.16051 175.0
[M+CH3COO]- 290.17616 194.6
[M+Na-2H]- 252.13698 157.1
[M]+ 231.16176 150.1
[M]- 231.16286 150.1
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.