CID 76239

2,3-dimethylphenoxyacetic acid

Structural Information

Molecular Formula
C10H12O3
SMILES
CC1=C(C(=CC=C1)OCC(=O)O)C
InChI
InChI=1S/C10H12O3/c1-7-4-3-5-9(8(7)2)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey
AVDBMBYECMTQJQ-UHFFFAOYSA-N
Compound name
2-(2,3-dimethylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

115
Patents

180.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 137.3
[M+Na]+ 203.06786 149.6
[M+NH4]+ 198.11246 144.9
[M+K]+ 219.04180 144.3
[M-H]- 179.07136 138.3
[M+Na-2H]- 201.05331 142.9
[M]+ 180.07809 139.2
[M]- 180.07919 139.2
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