CID 9942468

Methanone, (2-hydroxycyclohexyl)phenyl-

Structural Information

Molecular Formula
C13H16O2
SMILES
C1CCC(C(C1)C(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C13H16O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11-12,14H,4-5,8-9H2
InChIKey
GGEVAIVUOYYOKH-UHFFFAOYSA-N
Compound name
(2-hydroxycyclohexyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

367
Patents

204.11504 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 145.6
[M+Na]+ 227.104258 149.9
[M-H]- 203.107764 150.1
[M+NH4]+ 222.148863 163.3
[M+K]+ 243.078198 147.0
[M+H-H2O]+ 187.112300 138.9
[M+HCOO]- 249.113241 164.1
[M+CH3COO]- 263.128891 182.7
[M+Na-2H]- 225.089706 148.8
[M]+ 204.11449142 140.0
[M]- 204.11558858 140.0
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

patents stripe