CID 74209

Hexamethylenediaminetetraacetic acid

Structural Information

Molecular Formula
C14H24N2O8
SMILES
C(CCCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChI
InChI=1S/C14H24N2O8/c17-11(18)7-15(8-12(19)20)5-3-1-2-4-6-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey
YGDVXSDNEFDTGV-UHFFFAOYSA-N
Compound name
2-[6-[bis(carboxymethyl)amino]hexyl-(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

2840
Patents

348.15326 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.16054 178.6
[M+Na]+ 371.14248 178.8
[M-H]- 347.14598 197.0
[M+NH4]+ 366.18708 197.5
[M+K]+ 387.11642 180.3
[M+H-H2O]+ 331.15052 171.2
[M+HCOO]- 393.15146 190.7
[M+CH3COO]- 407.16711 215.2
[M+Na-2H]- 369.12793 174.4
[M]+ 348.15271 186.7
[M]- 348.15381 186.7
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