CID 3018701

2,6-bis(2-ethylhexyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C22H44O
SMILES
CCCCC(CC)CC1CCCC(C1O)CC(CC)CCCC
InChI
InChI=1S/C22H44O/c1-5-9-12-18(7-3)16-20-14-11-15-21(22(20)23)17-19(8-4)13-10-6-2/h18-23H,5-17H2,1-4H3
InChIKey
MEVPWSGMRKHLRE-UHFFFAOYSA-N
Compound name
2,6-bis(2-ethylhexyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

324.3392 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.346476 191.8
[M+Na]+ 347.328418 191.6
[M-H]- 323.331924 191.2
[M+NH4]+ 342.373023 205.6
[M+K]+ 363.302358 187.7
[M+H-H2O]+ 307.336460 184.8
[M+HCOO]- 369.337401 204.3
[M+CH3COO]- 383.353051 214.9
[M+Na-2H]- 345.313866 185.7
[M]+ 324.33865142 191.2
[M]- 324.33974858 191.2
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