CID 1494380

Methyl 2-(3-formylphenoxy)acetate

Structural Information

Molecular Formula
C10H10O4
SMILES
COC(=O)COC1=CC=CC(=C1)C=O
InChI
InChI=1S/C10H10O4/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-6H,7H2,1H3
InChIKey
AYMQCLGUHSIDFY-UHFFFAOYSA-N
Compound name
methyl 2-(3-formylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

194.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 137.9
[M+Na]+ 217.047118 146.1
[M-H]- 193.050624 141.9
[M+NH4]+ 212.091723 157.4
[M+K]+ 233.021058 145.4
[M+H-H2O]+ 177.055160 131.9
[M+HCOO]- 239.056101 162.5
[M+CH3COO]- 253.071751 182.0
[M+Na-2H]- 215.032566 143.8
[M]+ 194.05735142 142.3
[M]- 194.05844858 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe