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

928
Patents

192.11504 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 142.3
[M+Na]+ 215.104258 147.6
[M-H]- 191.107764 145.9
[M+NH4]+ 210.148863 160.3
[M+K]+ 231.078198 144.2
[M+H-H2O]+ 175.112300 136.1
[M+HCOO]- 237.113241 160.4
[M+CH3COO]- 251.128891 178.2
[M+Na-2H]- 213.089706 146.1
[M]+ 192.11449142 136.3
[M]- 192.11558858 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