CID 78368

4-dodecylcyclohexan-1-ol

Structural Information

Molecular Formula
C18H36O
SMILES
CCCCCCCCCCCCC1CCC(CC1)O
InChI
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17/h17-19H,2-16H2,1H3
InChIKey
QAFWWSONPIVCJW-UHFFFAOYSA-N
Compound name
4-dodecylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

268.2766 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.28388 173.8
[M+Na]+ 291.26582 174.7
[M-H]- 267.26932 173.4
[M+NH4]+ 286.31042 189.6
[M+K]+ 307.23976 170.8
[M+H-H2O]+ 251.27386 166.9
[M+HCOO]- 313.27480 189.6
[M+CH3COO]- 327.29045 200.2
[M+Na-2H]- 289.25127 172.9
[M]+ 268.27605 172.6
[M]- 268.27715 172.6
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