CID 49722

Cyclopentyl 3,4-dihydroxyphenyl ketone

Structural Information

Molecular Formula
C12H14O3
SMILES
C1CCC(C1)C(=O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C12H14O3/c13-10-6-5-9(7-11(10)14)12(15)8-3-1-2-4-8/h5-8,13-14H,1-4H2
InChIKey
ICPUNZJSJWFCOT-UHFFFAOYSA-N
Compound name
cyclopentyl-(3,4-dihydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.0943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 144.9
[M+Na]+ 229.08352 151.1
[M-H]- 205.08702 149.0
[M+NH4]+ 224.12812 164.1
[M+K]+ 245.05746 148.0
[M+H-H2O]+ 189.09156 139.3
[M+HCOO]- 251.09250 164.7
[M+CH3COO]- 265.10815 179.9
[M+Na-2H]- 227.06897 146.1
[M]+ 206.09375 141.2
[M]- 206.09485 141.2
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.