CID 18931820

Schembl10385583

Structural Information

Molecular Formula
C8H17N3O4
SMILES
C(CNCCN(CC(=O)O)CC(=O)O)N
InChI
InChI=1S/C8H17N3O4/c9-1-2-10-3-4-11(5-7(12)13)6-8(14)15/h10H,1-6,9H2,(H,12,13)(H,14,15)
InChIKey
NBMJPJGKPSSKAY-UHFFFAOYSA-N
Compound name
2-[2-(2-aminoethylamino)ethyl-(carboxymethyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

219.1219 Da
Monoisotopic Mass

-6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.129176 149.1
[M+Na]+ 242.111118 151.9
[M-H]- 218.114624 146.9
[M+NH4]+ 237.155723 164.9
[M+K]+ 258.085058 152.3
[M+H-H2O]+ 202.119160 142.2
[M+HCOO]- 264.120101 171.3
[M+CH3COO]- 278.135751 194.4
[M+Na-2H]- 240.096566 150.4
[M]+ 219.12135142 147.9
[M]- 219.12244858 147.9
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

patents stripe