CID 24832173

Cyclohexylamine, n-acetyl-3-cyclohexylmethyl-

Structural Information

Molecular Formula
C15H27NO
SMILES
CC(=O)N[C@@H]1CCC[C@H](C1)CC2CCCCC2
InChI
InChI=1S/C15H27NO/c1-12(17)16-15-9-5-8-14(11-15)10-13-6-3-2-4-7-13/h13-15H,2-11H2,1H3,(H,16,17)/t14-,15+/m0/s1
InChIKey
MSNGKQAMRGJVCW-LSDHHAIUSA-N
Compound name
N-[(1R,3S)-3-(cyclohexylmethyl)cyclohexyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.20926 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.21654 160.1
[M+Na]+ 260.19848 160.1
[M-H]- 236.20198 164.3
[M+NH4]+ 255.24308 176.7
[M+K]+ 276.17242 157.6
[M+H-H2O]+ 220.20652 152.5
[M+HCOO]- 282.20746 175.8
[M+CH3COO]- 296.22311 194.6
[M+Na-2H]- 258.18393 159.9
[M]+ 237.20871 150.5
[M]- 237.20981 150.5
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

No patent data available for this compound.