CID 10464824

5835-29-0

Structural Information

Molecular Formula
C6H12N2O4
SMILES
C(CN(CC(=O)O)CC(=O)O)N
InChI
InChI=1S/C6H12N2O4/c7-1-2-8(3-5(9)10)4-6(11)12/h1-4,7H2,(H,9,10)(H,11,12)
InChIKey
SJBOEHIKNDEHHO-UHFFFAOYSA-N
Compound name
2-[2-aminoethyl(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

2699
Patents

176.07971 Da
Monoisotopic Mass

-6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.086986 137.2
[M+Na]+ 199.068928 141.9
[M-H]- 175.072434 135.5
[M+NH4]+ 194.113533 155.3
[M+K]+ 215.042868 142.5
[M+H-H2O]+ 159.076970 131.4
[M+HCOO]- 221.077911 159.2
[M+CH3COO]- 235.093561 182.9
[M+Na-2H]- 197.054376 139.2
[M]+ 176.07916142 136.2
[M]- 176.08025858 136.2
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