CID 136915

N-phenyliminodiacetic acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1=CC=C(C=C1)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C10H11NO4/c12-9(13)6-11(7-10(14)15)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,13)(H,14,15)
InChIKey
GQBWTAGIANQVGB-UHFFFAOYSA-N
Compound name
2-[N-(carboxymethyl)anilino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

934
Patents

209.0688 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.7
[M+Na]+ 232.05802 148.9
[M-H]- 208.06152 145.7
[M+NH4]+ 227.10262 160.8
[M+K]+ 248.03196 148.2
[M+H-H2O]+ 192.06606 137.2
[M+HCOO]- 254.06700 165.7
[M+CH3COO]- 268.08265 185.8
[M+Na-2H]- 230.04347 147.4
[M]+ 209.06825 143.7
[M]- 209.06935 143.7
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