CID 710612

N-cycloheptyl-4-methylbenzamide

Structural Information

Molecular Formula
C15H21NO
SMILES
CC1=CC=C(C=C1)C(=O)NC2CCCCCC2
InChI
InChI=1S/C15H21NO/c1-12-8-10-13(11-9-12)15(17)16-14-6-4-2-3-5-7-14/h8-11,14H,2-7H2,1H3,(H,16,17)
InChIKey
GKZQEUZJLOPVSE-UHFFFAOYSA-N
Compound name
N-cycloheptyl-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

231.16231 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.169586 152.5
[M+Na]+ 254.151528 154.1
[M-H]- 230.155034 158.9
[M+NH4]+ 249.196133 168.5
[M+K]+ 270.125468 155.9
[M+H-H2O]+ 214.159570 146.2
[M+HCOO]- 276.160511 172.0
[M+CH3COO]- 290.176161 194.5
[M+Na-2H]- 252.136976 155.1
[M]+ 231.16176142 144.5
[M]- 231.16285858 144.5
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