CID 3673514

Cyclohexyl(2,4-dihydroxyphenyl)methanone

Structural Information

Molecular Formula
C13H16O3
SMILES
C1CCC(CC1)C(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C13H16O3/c14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h6-9,14-15H,1-5H2
InChIKey
WQRKAVYOYRBICK-UHFFFAOYSA-N
Compound name
cyclohexyl-(2,4-dihydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

220.10994 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.117216 148.7
[M+Na]+ 243.099158 153.6
[M-H]- 219.102664 152.2
[M+NH4]+ 238.143763 165.4
[M+K]+ 259.073098 150.4
[M+H-H2O]+ 203.107200 142.4
[M+HCOO]- 265.108141 166.0
[M+CH3COO]- 279.123791 183.5
[M+Na-2H]- 241.084606 150.9
[M]+ 220.10939142 143.3
[M]- 220.11048858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe