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: 135
Patents: 332.27155 Da
Monoisotopic Mass: 7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.278826	186.7
[M+Na]+	355.260768	189.0
[M-H]-	331.264274	189.0
[M+NH4]+	350.305373	199.4
[M+K]+	371.234708	183.8
[M+H-H2O]+	315.268810	179.5
[M+HCOO]-	377.269751	199.8
[M+CH3COO]-	391.285401	210.0
[M+Na-2H]-	353.246216	185.4
[M]+	332.27100142	184.2
[M]-	332.27209858	184.2

Literature stripe

literature stripe

Patent stripe

patents stripe