CID 167782

Ethylenediaminetriacetic acid

Structural Information

Molecular Formula
C8H14N2O6
SMILES
C(CN(CC(=O)O)CC(=O)O)NCC(=O)O
InChI
InChI=1S/C8H14N2O6/c11-6(12)3-9-1-2-10(4-7(13)14)5-8(15)16/h9H,1-5H2,(H,11,12)(H,13,14)(H,15,16)
InChIKey
OUDSFQBUEBFSPS-UHFFFAOYSA-N
Compound name
2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

5272
Patents

234.08519 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09247 149.3
[M+Na]+ 257.07441 152.5
[M-H]- 233.07791 146.3
[M+NH4]+ 252.11901 164.2
[M+K]+ 273.04835 153.3
[M+H-H2O]+ 217.08245 143.0
[M+HCOO]- 279.08339 169.4
[M+CH3COO]- 293.09904 191.8
[M+Na-2H]- 255.05986 149.9
[M]+ 234.08464 149.7
[M]- 234.08574 149.7
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