CID 74209

1633-00-7

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

2633
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.