CID 18981016

Methyl 2-(4-formylphenoxy)propanoate

Structural Information

Molecular Formula
C11H12O4
SMILES
CC(C(=O)OC)OC1=CC=C(C=C1)C=O
InChI
InChI=1S/C11H12O4/c1-8(11(13)14-2)15-10-5-3-9(7-12)4-6-10/h3-8H,1-2H3
InChIKey
XMSBEICDSVTRGX-UHFFFAOYSA-N
Compound name
methyl 2-(4-formylphenoxy)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

208.07356 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 142.7
[M+Na]+ 231.06278 150.1
[M-H]- 207.06628 146.5
[M+NH4]+ 226.10738 161.5
[M+K]+ 247.03672 149.7
[M+H-H2O]+ 191.07082 136.6
[M+HCOO]- 253.07176 166.0
[M+CH3COO]- 267.08741 185.9
[M+Na-2H]- 229.04823 146.8
[M]+ 208.07301 146.8
[M]- 208.07411 146.8
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

patents stripe