CID 758214

Methyl 2-(4-formylphenoxy)acetate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

194.0579 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06518 137.9
[M+Na]+ 217.04712 146.1
[M-H]- 193.05062 141.9
[M+NH4]+ 212.09172 157.4
[M+K]+ 233.02106 145.4
[M+H-H2O]+ 177.05516 131.9
[M+HCOO]- 239.05610 162.5
[M+CH3COO]- 253.07175 182.0
[M+Na-2H]- 215.03257 143.8
[M]+ 194.05735 142.3
[M]- 194.05845 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.