CID 25201495

Methylphoracetophenone

Structural Information

Molecular Formula
C9H10O4
SMILES
CC1C(=O)C=C(C(=C1O)C(=O)C)O
InChI
InChI=1S/C9H10O4/c1-4-6(11)3-7(12)8(5(2)10)9(4)13/h3-4,12-13H,1-2H3
InChIKey
SQDIEOIQBURNFA-UHFFFAOYSA-N
Compound name
4-acetyl-3,5-dihydroxy-6-methylcyclohexa-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

182.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 133.6
[M+Na]+ 205.047118 143.0
[M-H]- 181.050624 135.7
[M+NH4]+ 200.091723 153.0
[M+K]+ 221.021058 141.1
[M+H-H2O]+ 165.055160 129.2
[M+HCOO]- 227.056101 154.0
[M+CH3COO]- 241.071751 178.7
[M+Na-2H]- 203.032566 136.1
[M]+ 182.05735142 133.7
[M]- 182.05844858 133.7
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

No patent data available for this compound.