CID 85648855

Methyl 2-(3-formyl-2-hydroxyphenyl)acetate

Structural Information

Molecular Formula
C10H10O4
SMILES
COC(=O)CC1=C(C(=CC=C1)C=O)O
InChI
InChI=1S/C10H10O4/c1-14-9(12)5-7-3-2-4-8(6-11)10(7)13/h2-4,6,13H,5H2,1H3
InChIKey
IFPZHLIKWIVBAW-UHFFFAOYSA-N
Compound name
methyl 2-(3-formyl-2-hydroxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0579 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 137.8
[M+Na]+ 217.047118 146.5
[M-H]- 193.050624 140.7
[M+NH4]+ 212.091723 156.9
[M+K]+ 233.021058 144.9
[M+H-H2O]+ 177.055160 132.4
[M+HCOO]- 239.056101 160.9
[M+CH3COO]- 253.071751 180.6
[M+Na-2H]- 215.032566 142.6
[M]+ 194.05735142 140.7
[M]- 194.05844858 140.7
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.