CID 459325

1147-65-5

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
1
Annotation Hits

0
References

1478
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 153.2
[M+Na]+ 276.04786 160.6
[M+NH4]+ 271.09246 157.0
[M+K]+ 292.02180 159.6
[M-H]- 252.05136 151.0
[M+Na-2H]- 274.03331 155.2
[M]+ 253.05809 152.9
[M]- 253.05919 152.9
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