CID 535840

32705-91-2

Structural Information

Molecular Formula
C8H16N2O4
SMILES
C(CNCCNCCC(=O)O)C(=O)O
InChI
InChI=1S/C8H16N2O4/c11-7(12)1-3-9-5-6-10-4-2-8(13)14/h9-10H,1-6H2,(H,11,12)(H,13,14)
InChIKey
SZUZWFXRVSNBOZ-UHFFFAOYSA-N
Compound name
3-[2-(2-carboxyethylamino)ethylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

854
Patents

204.11101 Da
Monoisotopic Mass

-6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11829 146.2
[M+Na]+ 227.10023 151.1
[M+NH4]+ 222.14483 150.3
[M+K]+ 243.07417 148.7
[M-H]- 203.10373 143.0
[M+Na-2H]- 225.08568 146.0
[M]+ 204.11046 145.1
[M]- 204.11156 145.1
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