CID 75055

4-cyclohexylresorcinol

Structural Information

Molecular Formula
C12H16O2
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C12H16O2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h6-9,13-14H,1-5H2
InChIKey
LSEHCENPUMUIKC-UHFFFAOYSA-N
Compound name
4-cyclohexylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

734
Patents

192.11504 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 142.3
[M+Na]+ 215.10426 147.6
[M-H]- 191.10776 145.9
[M+NH4]+ 210.14886 160.3
[M+K]+ 231.07820 144.2
[M+H-H2O]+ 175.11230 136.1
[M+HCOO]- 237.11324 160.4
[M+CH3COO]- 251.12889 178.2
[M+Na-2H]- 213.08971 146.1
[M]+ 192.11449 136.3
[M]- 192.11559 136.3
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