CID 8758

Nitrilotriacetic acid

Structural Information

Molecular Formula
C6H9NO6
SMILES
C(C(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C6H9NO6/c8-4(9)1-7(2-5(10)11)3-6(12)13/h1-3H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey
MGFYIUFZLHCRTH-UHFFFAOYSA-N
Compound name
2-[bis(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

1971
References

110063
Patents

191.04298 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.05026 136.7
[M+Na]+ 214.03220 141.7
[M-H]- 190.03570 134.2
[M+NH4]+ 209.07680 153.8
[M+K]+ 230.00614 142.8
[M+H-H2O]+ 174.04024 131.4
[M+HCOO]- 236.04118 156.5
[M+CH3COO]- 250.05683 180.4
[M+Na-2H]- 212.01765 138.1
[M]+ 191.04243 137.3
[M]- 191.04353 137.3
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.