CID 776001

3-(2-methoxyphenoxy)propanoic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
COC1=CC=CC=C1OCCC(=O)O
InChI
InChI=1S/C10H12O4/c1-13-8-4-2-3-5-9(8)14-7-6-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey
TXQJIMNDEHCONN-UHFFFAOYSA-N
Compound name
3-(2-methoxyphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

448
Patents

196.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 139.9
[M+Na]+ 219.062778 147.2
[M-H]- 195.066284 142.3
[M+NH4]+ 214.107383 158.6
[M+K]+ 235.036718 146.2
[M+H-H2O]+ 179.070820 134.0
[M+HCOO]- 241.071761 162.8
[M+CH3COO]- 255.087411 180.9
[M+Na-2H]- 217.048226 145.2
[M]+ 196.07301142 143.2
[M]- 196.07410858 143.2
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