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]+ 183.06518 133.6
[M+Na]+ 205.04712 143.0
[M-H]- 181.05062 135.7
[M+NH4]+ 200.09172 153.0
[M+K]+ 221.02106 141.1
[M+H-H2O]+ 165.05516 129.2
[M+HCOO]- 227.05610 154.0
[M+CH3COO]- 241.07175 178.7
[M+Na-2H]- 203.03257 136.1
[M]+ 182.05735 133.7
[M]- 182.05845 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.