CID 166355

Cyclohexanone, 2-octylidene-

Structural Information

Molecular Formula
C14H24O
SMILES
CCCCCCCC=C1CCCCC1=O
InChI
InChI=1S/C14H24O/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)15/h10H,2-9,11-12H2,1H3
InChIKey
FOTNXVZRWMBVGZ-UHFFFAOYSA-N
Compound name
2-octylidenecyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

208.18271 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.189986 152.4
[M+Na]+ 231.171928 156.2
[M-H]- 207.175434 154.4
[M+NH4]+ 226.216533 171.3
[M+K]+ 247.145868 153.1
[M+H-H2O]+ 191.179970 146.3
[M+HCOO]- 253.180911 171.6
[M+CH3COO]- 267.196561 188.4
[M+Na-2H]- 229.157376 154.3
[M]+ 208.18216142 150.2
[M]- 208.18325858 150.2
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