CID 49091

67049-69-8

Structural Information

Molecular Formula
C11H14O3
SMILES
CCC(C)C(=O)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C11H14O3/c1-3-7(2)11(14)8-4-5-9(12)10(13)6-8/h4-7,12-13H,3H2,1-2H3
InChIKey
OEQYBTLDHVLHOC-UHFFFAOYSA-N
Compound name
1-(3,4-dihydroxyphenyl)-2-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

194.0943 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 141.6
[M+Na]+ 217.083518 148.9
[M-H]- 193.087024 143.0
[M+NH4]+ 212.128123 160.0
[M+K]+ 233.057458 146.7
[M+H-H2O]+ 177.091560 136.5
[M+HCOO]- 239.092501 161.4
[M+CH3COO]- 253.108151 181.5
[M+Na-2H]- 215.068966 143.9
[M]+ 194.09375142 141.7
[M]- 194.09484858 141.7
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