CID 459325

2-[bis(carboxymethyl)amino]benzoic acid

Structural Information

Molecular Formula
C11H11NO6
SMILES
C1=CC=C(C(=C1)C(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C11H11NO6/c13-9(14)5-12(6-10(15)16)8-4-2-1-3-7(8)11(17)18/h1-4H,5-6H2,(H,13,14)(H,15,16)(H,17,18)
InChIKey
IKEUZCGOPYSHNN-UHFFFAOYSA-N
Compound name
2-[bis(carboxymethyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1790
Patents

253.05864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06592 151.7
[M+Na]+ 276.04786 156.6
[M-H]- 252.05136 152.5
[M+NH4]+ 271.09246 166.2
[M+K]+ 292.02180 156.3
[M+H-H2O]+ 236.05590 145.2
[M+HCOO]- 298.05684 171.4
[M+CH3COO]- 312.07249 192.4
[M+Na-2H]- 274.03331 152.7
[M]+ 253.05809 152.1
[M]- 253.05919 152.1
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.