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

21
Patents

231.16231 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 152.5
[M+Na]+ 254.15153 154.1
[M-H]- 230.15503 158.9
[M+NH4]+ 249.19613 168.5
[M+K]+ 270.12547 155.9
[M+H-H2O]+ 214.15957 146.2
[M+HCOO]- 276.16051 172.0
[M+CH3COO]- 290.17616 194.5
[M+Na-2H]- 252.13698 155.1
[M]+ 231.16176 144.5
[M]- 231.16286 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