CID 222648

6293-98-7

Structural Information

Molecular Formula
C11H12ClNO4
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NCC(=O)O
InChI
InChI=1S/C11H12ClNO4/c1-7-4-8(12)2-3-9(7)17-6-10(14)13-5-11(15)16/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)
InChIKey
YQULFTNMDLMCOB-UHFFFAOYSA-N
Compound name
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.04547 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05275 153.3
[M+Na]+ 280.03469 164.1
[M+NH4]+ 275.07929 159.5
[M+K]+ 296.00863 159.4
[M-H]- 256.03819 153.5
[M+Na-2H]- 278.02014 157.5
[M]+ 257.04492 154.8
[M]- 257.04602 154.8
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

No patent data available for this compound.