CID 100098

Nsc 334200

Structural Information

Molecular Formula
C8H14N2O5
SMILES
CC(C(=O)O)NC(=O)C(CCC(=O)O)N
InChI
InChI=1S/C8H14N2O5/c1-4(8(14)15)10-7(13)5(9)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)
InChIKey
JZDHUJAFXGNDSB-UHFFFAOYSA-N
Compound name
4-amino-5-(1-carboxyethylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

218.09027 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.09755 148.8
[M+Na]+ 241.07949 152.0
[M+NH4]+ 236.12409 151.4
[M+K]+ 257.05343 152.8
[M-H]- 217.08299 143.9
[M+Na-2H]- 239.06494 146.5
[M]+ 218.08972 146.8
[M]- 218.09082 146.8
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