CID 193111

Mg 6236

Structural Information

Molecular Formula
C14H18O2
SMILES
CC(=O)C1(CCC(CC1)C2=CC=CC=C2)O
InChI
InChI=1S/C14H18O2/c1-11(15)14(16)9-7-13(8-10-14)12-5-3-2-4-6-12/h2-6,13,16H,7-10H2,1H3
InChIKey
RXZJKNHFAUFBHI-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-4-phenylcyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

218.13068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.13796 150.6
[M+Na]+ 241.11990 155.6
[M-H]- 217.12340 155.3
[M+NH4]+ 236.16450 169.9
[M+K]+ 257.09384 152.7
[M+H-H2O]+ 201.12794 144.4
[M+HCOO]- 263.12888 168.8
[M+CH3COO]- 277.14453 185.2
[M+Na-2H]- 239.10535 154.3
[M]+ 218.13013 145.7
[M]- 218.13123 145.7
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