CID 53904226

2-methoxy-3-phenoxypropanoic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
COC(COC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C10H12O4/c1-13-9(10(11)12)7-14-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,12)
InChIKey
HZGRIPLJQHKISJ-UHFFFAOYSA-N
Compound name
2-methoxy-3-phenoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

196.07356 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 140.9
[M+Na]+ 219.062778 147.0
[M-H]- 195.066284 142.9
[M+NH4]+ 214.107383 159.1
[M+K]+ 235.036718 146.4
[M+H-H2O]+ 179.070820 134.8
[M+HCOO]- 241.071761 162.7
[M+CH3COO]- 255.087411 180.7
[M+Na-2H]- 217.048226 145.6
[M]+ 196.07301142 143.1
[M]- 196.07410858 143.1
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