CID 222648

2-[2-(4-chloro-2-methylphenoxy)acetamido]acetic acid

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 152.5
[M+Na]+ 280.03469 160.3
[M-H]- 256.03819 155.1
[M+NH4]+ 275.07929 169.5
[M+K]+ 296.00863 157.0
[M+H-H2O]+ 240.04273 147.4
[M+HCOO]- 302.04367 170.8
[M+CH3COO]- 316.05932 193.4
[M+Na-2H]- 278.02014 155.3
[M]+ 257.04492 156.5
[M]- 257.04602 156.5
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