CID 299686

101564-21-0

Structural Information

Molecular Formula
C18H33NO
SMILES
CCCCNC(=O)C1CCC(CC1)CC2CCCCC2
InChI
InChI=1S/C18H33NO/c1-2-3-13-19-18(20)17-11-9-16(10-12-17)14-15-7-5-4-6-8-15/h15-17H,2-14H2,1H3,(H,19,20)
InChIKey
QXXLUPWSUAZMPG-UHFFFAOYSA-N
Compound name
N-butyl-4-(cyclohexylmethyl)cyclohexane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.25623 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.26351 173.4
[M+Na]+ 302.24545 172.1
[M-H]- 278.24895 176.9
[M+NH4]+ 297.29005 188.2
[M+K]+ 318.21939 168.8
[M+H-H2O]+ 262.25349 165.2
[M+HCOO]- 324.25443 188.0
[M+CH3COO]- 338.27008 203.7
[M+Na-2H]- 300.23090 171.5
[M]+ 279.25568 164.8
[M]- 279.25678 164.8
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.