CID 128847

13214-64-7

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)O
InChI
InChI=1S/C10H11NO4/c1-15-8-4-2-7(3-5-8)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKey
SIEIOUWSTGWJGE-UHFFFAOYSA-N
Compound name
2-[(4-methoxybenzoyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

47
Patents

209.0688 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 144.4
[M+Na]+ 232.05802 154.2
[M+NH4]+ 227.10262 150.4
[M+K]+ 248.03196 150.3
[M-H]- 208.06152 144.5
[M+Na-2H]- 230.04347 148.9
[M]+ 209.06825 145.4
[M]- 209.06935 145.4
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