CID 3053229

69629-21-6

Structural Information

Molecular Formula
C14H18O2
SMILES
C1CC(C=C(C1)C2=CC=C(C=C2)CCO)O
InChI
InChI=1S/C14H18O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h4-7,10,14-16H,1-3,8-9H2
InChIKey
YRTJDFIGZGHQFZ-UHFFFAOYSA-N
Compound name
3-[4-(2-hydroxyethyl)phenyl]cyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.13068 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.137956 149.7
[M+Na]+ 241.119898 155.2
[M-H]- 217.123404 153.3
[M+NH4]+ 236.164503 166.8
[M+K]+ 257.093838 151.1
[M+H-H2O]+ 201.127940 143.2
[M+HCOO]- 263.128881 168.7
[M+CH3COO]- 277.144531 183.9
[M+Na-2H]- 239.105346 153.5
[M]+ 218.13013142 145.9
[M]- 218.13122858 145.9
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.