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
cis-(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]+ 221.153606 151.4
[M+Na]+ 243.135548 155.8
[M-H]- 219.139054 154.5
[M+NH4]+ 238.180153 168.2
[M+K]+ 259.109488 151.9
[M+H-H2O]+ 203.143590 144.8
[M+HCOO]- 265.144531 168.8
[M+CH3COO]- 279.160181 184.3
[M+Na-2H]- 241.120996 154.1
[M]+ 220.14578142 146.1
[M]- 220.14687858 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.