CID 234326

(2-methoxy-4-methylphenoxy)acetic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
CC1=CC(=C(C=C1)OCC(=O)O)OC
InChI
InChI=1S/C10H12O4/c1-7-3-4-8(9(5-7)13-2)14-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey
UKBBJABLUBELSL-UHFFFAOYSA-N
Compound name
2-(2-methoxy-4-methylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

196.07356 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 139.1
[M+Na]+ 219.062778 147.4
[M-H]- 195.066284 141.9
[M+NH4]+ 214.107383 158.1
[M+K]+ 235.036718 146.4
[M+H-H2O]+ 179.070820 133.5
[M+HCOO]- 241.071761 162.0
[M+CH3COO]- 255.087411 182.2
[M+Na-2H]- 217.048226 143.8
[M]+ 196.07301142 142.8
[M]- 196.07410858 142.8
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