CID 15714

Dodecylcyclohexane

Structural Information

Molecular Formula
C18H36
SMILES
CCCCCCCCCCCCC1CCCCC1
InChI
InChI=1S/C18H36/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18/h18H,2-17H2,1H3
InChIKey
BLRBGKYYWDBAQQ-UHFFFAOYSA-N
Compound name
dodecylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1410
Patents

252.28171 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.28899 169.9
[M+Na]+ 275.27093 179.4
[M+NH4]+ 270.31553 178.6
[M+K]+ 291.24487 169.6
[M-H]- 251.27443 172.6
[M+Na-2H]- 273.25638 173.6
[M]+ 252.28116 171.9
[M]- 252.28226 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe