CID 8396

2-cyclohexylphenol

Structural Information

Molecular Formula
C12H16O
SMILES
C1CCC(CC1)C2=CC=CC=C2O
InChI
InChI=1S/C12H16O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h4-5,8-10,13H,1-3,6-7H2
InChIKey
MVRPPTGLVPEMPI-UHFFFAOYSA-N
Compound name
2-cyclohexylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

8282
Patents

176.12012 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.127396 138.7
[M+Na]+ 199.109338 143.6
[M-H]- 175.112844 143.3
[M+NH4]+ 194.153943 157.9
[M+K]+ 215.083278 140.5
[M+H-H2O]+ 159.117380 132.3
[M+HCOO]- 221.118321 158.2
[M+CH3COO]- 235.133971 177.6
[M+Na-2H]- 197.094786 143.7
[M]+ 176.11957142 132.7
[M]- 176.12066858 132.7
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