CID 74649

2-(4-methoxyphenoxy)acetic acid

Structural Information

Molecular Formula
C9H10O4
SMILES
COC1=CC=C(C=C1)OCC(=O)O
InChI
InChI=1S/C9H10O4/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey
BHFSBJHPPFJCOS-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

581
Patents

182.0579 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 135.2
[M+Na]+ 205.047118 143.0
[M-H]- 181.050624 137.8
[M+NH4]+ 200.091723 154.4
[M+K]+ 221.021058 142.2
[M+H-H2O]+ 165.055160 129.5
[M+HCOO]- 227.056101 158.4
[M+CH3COO]- 241.071751 177.9
[M+Na-2H]- 203.032566 141.1
[M]+ 182.05735142 138.1
[M]- 182.05844858 138.1
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