CID 12788231

70434-92-3

Structural Information

Molecular Formula
C22H36O2
SMILES
CCCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2CCC[C@@H](C2)O)O
InChI
InChI=1S/C22H36O2/c1-4-5-6-7-8-14-22(2,3)18-12-13-20(21(24)16-18)17-10-9-11-19(23)15-17/h12-13,16-17,19,23-24H,4-11,14-15H2,1-3H3/t17-,19+/m1/s1
InChIKey
HNMJDLVMIUDJNH-MJGOQNOKSA-N
Compound name
2-[(1R,3S)-3-hydroxycyclohexyl]-5-(2-methylnonan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

9
References

131
Patents

332.27155 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 186.7
[M+Na]+ 355.26077 189.0
[M-H]- 331.26427 189.0
[M+NH4]+ 350.30537 199.4
[M+K]+ 371.23471 183.8
[M+H-H2O]+ 315.26881 179.5
[M+HCOO]- 377.26975 199.8
[M+CH3COO]- 391.28540 210.0
[M+Na-2H]- 353.24622 185.4
[M]+ 332.27100 184.2
[M]- 332.27210 184.2
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

No patent data available for this compound.