CID 3055356

72299-02-6

Structural Information

Molecular Formula
C13H21NO
SMILES
CC1CC=CCC1C(=O)N2CCCCC2
InChI
InChI=1S/C13H21NO/c1-11-7-3-4-8-12(11)13(15)14-9-5-2-6-10-14/h3-4,11-12H,2,5-10H2,1H3
InChIKey
HKEBZICUKLQKGY-UHFFFAOYSA-N
Compound name
(6-methylcyclohex-3-en-1-yl)-piperidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.16231 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.169586 150.3
[M+Na]+ 230.151528 153.1
[M-H]- 206.155034 153.9
[M+NH4]+ 225.196133 167.2
[M+K]+ 246.125468 150.9
[M+H-H2O]+ 190.159570 142.4
[M+HCOO]- 252.160511 165.8
[M+CH3COO]- 266.176161 185.9
[M+Na-2H]- 228.136976 151.9
[M]+ 207.16176142 142.7
[M]- 207.16285858 142.7
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.