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

2
Patents

257.04547 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.052746 152.5
[M+Na]+ 280.034688 160.3
[M-H]- 256.038194 155.1
[M+NH4]+ 275.079293 169.5
[M+K]+ 296.008628 157.0
[M+H-H2O]+ 240.042730 147.4
[M+HCOO]- 302.043671 170.8
[M+CH3COO]- 316.059321 193.4
[M+Na-2H]- 278.020136 155.3
[M]+ 257.04492142 156.5
[M]- 257.04601858 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