CID 6049

Edta

Structural Information

Molecular Formula
C10H16N2O8
SMILES
C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
InChIKey
KCXVZYZYPLLWCC-UHFFFAOYSA-N
Compound name
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
11
Annotation Hits

57181
References

419745
Patents

292.09067 Da
Monoisotopic Mass

-5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.097946 160.7
[M+Na]+ 315.079888 162.5
[M-H]- 291.083394 157.4
[M+NH4]+ 310.124493 182.8
[M+K]+ 331.053828 164.9
[M+H-H2O]+ 275.087930 153.9
[M+HCOO]- 337.088871 177.6
[M+CH3COO]- 351.104521 203.6
[M+Na-2H]- 313.065336 158.4
[M]+ 292.09012142 162.7
[M]- 292.09121858 162.7
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