CID 94932

4,4'-isopropylidenedicyclohexanol

Structural Information

Molecular Formula
C15H28O2
SMILES
CC(C)(C1CCC(CC1)O)C2CCC(CC2)O
InChI
InChI=1S/C15H28O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h11-14,16-17H,3-10H2,1-2H3
InChIKey
CDBAMNGURPMUTG-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxycyclohexyl)propan-2-yl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22503
Patents

240.20892 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.21620 160.5
[M+Na]+ 263.19814 161.9
[M-H]- 239.20164 162.6
[M+NH4]+ 258.24274 176.5
[M+K]+ 279.17208 158.9
[M+H-H2O]+ 223.20618 154.6
[M+HCOO]- 285.20712 171.7
[M+CH3COO]- 299.22277 188.9
[M+Na-2H]- 261.18359 160.6
[M]+ 240.20837 150.9
[M]- 240.20947 150.9
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