CID 23902365

70435-08-4

Structural Information

Molecular Formula
C23H38O2
SMILES
CCCCCCCCC(C)(C)C1=CC(=C(C=C1)[C@H]2CCC[C@H](C2)O)O
InChI
InChI=1S/C23H38O2/c1-4-5-6-7-8-9-15-23(2,3)19-13-14-21(22(25)17-19)18-11-10-12-20(24)16-18/h13-14,17-18,20,24-25H,4-12,15-16H2,1-3H3/t18-,20+/m0/s1
InChIKey
BIGNODGYJZJTBM-AZUAARDMSA-N
Compound name
2-[(1S,3R)-3-hydroxycyclohexyl]-5-(2-methyldecan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

346.28717 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.29445 191.2
[M+Na]+ 369.27639 193.0
[M-H]- 345.27989 193.2
[M+NH4]+ 364.32099 203.3
[M+K]+ 385.25033 187.6
[M+H-H2O]+ 329.28443 183.7
[M+HCOO]- 391.28537 203.9
[M+CH3COO]- 405.30102 213.0
[M+Na-2H]- 367.26184 189.3
[M]+ 346.28662 189.0
[M]- 346.28772 189.0
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