CID 3053225

Benzeneethanol, 4-(3-hydroxycyclohexyl)-, cis-

Structural Information

Molecular Formula
C14H20O2
SMILES
C1C[C@H](C[C@H](C1)O)C2=CC=C(C=C2)CCO
InChI
InChI=1S/C14H20O2/c15-9-8-11-4-6-12(7-5-11)13-2-1-3-14(16)10-13/h4-7,13-16H,1-3,8-10H2/t13-,14+/m1/s1
InChIKey
JHJYVGTYERCKFN-KGLIPLIRSA-N
Compound name
(1S,3R)-3-[4-(2-hydroxyethyl)phenyl]cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.14633 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 151.4
[M+Na]+ 243.13555 155.8
[M-H]- 219.13905 154.5
[M+NH4]+ 238.18015 168.2
[M+K]+ 259.10949 151.9
[M+H-H2O]+ 203.14359 144.8
[M+HCOO]- 265.14453 168.8
[M+CH3COO]- 279.16018 184.3
[M+Na-2H]- 241.12100 154.1
[M]+ 220.14578 146.1
[M]- 220.14688 146.1
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.