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
9
Annotation Hits

1968
References

85486
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 138.6
[M+Na]+ 214.03220 143.6
[M+NH4]+ 209.07680 141.9
[M+K]+ 230.00614 144.0
[M-H]- 190.03570 133.5
[M+Na-2H]- 212.01765 137.5
[M]+ 191.04243 137.0
[M]- 191.04353 137.0
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