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]+ 325.34648 191.8
[M+Na]+ 347.32842 191.6
[M-H]- 323.33192 191.2
[M+NH4]+ 342.37302 205.6
[M+K]+ 363.30236 187.7
[M+H-H2O]+ 307.33646 184.8
[M+HCOO]- 369.33740 204.3
[M+CH3COO]- 383.35305 214.9
[M+Na-2H]- 345.31387 185.7
[M]+ 324.33865 191.2
[M]- 324.33975 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