CID 74651

(2-methylphenoxy)acetic acid

Structural Information

Molecular Formula
C9H10O3
SMILES
CC1=CC=CC=C1OCC(=O)O
InChI
InChI=1S/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey
QJVXBRUGKLCUMY-UHFFFAOYSA-N
Compound name
2-(2-methylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

657
Patents

166.06299 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.07027 133.2
[M+Na]+ 189.05221 145.4
[M+NH4]+ 184.09681 141.0
[M+K]+ 205.02615 140.1
[M-H]- 165.05571 134.2
[M+Na-2H]- 187.03766 139.4
[M]+ 166.06244 135.1
[M]- 166.06354 135.1
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