CID 12788251

Cp47497-c6-homolog

Structural Information

Molecular Formula
C20H32O2
SMILES
CCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)O
InChI
InChI=1S/C20H32O2/c1-4-5-6-12-20(2,3)16-10-11-18(19(22)14-16)15-8-7-9-17(21)13-15/h10-11,14-15,17,21-22H,4-9,12-13H2,1-3H3
InChIKey
KQUGQXNYBWYGAI-UHFFFAOYSA-N
Compound name
2-(3-hydroxycyclohexyl)-5-(2-methylheptan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

27
Patents

304.24023 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.247506 177.8
[M+Na]+ 327.229448 180.9
[M-H]- 303.232954 180.5
[M+NH4]+ 322.274053 191.6
[M+K]+ 343.203388 176.2
[M+H-H2O]+ 287.237490 170.9
[M+HCOO]- 349.238431 191.6
[M+CH3COO]- 363.254081 204.0
[M+Na-2H]- 325.214896 177.5
[M]+ 304.23968142 174.6
[M]- 304.24077858 174.6
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.