CID 22844748

5875-35-4

Structural Information

Molecular Formula
C8H14N2O6
SMILES
C(CC(=O)N[C@@H](CO)C(=O)O)[C@@H](C(=O)O)N
InChI
InChI=1S/C8H14N2O6/c9-4(7(13)14)1-2-6(12)10-5(3-11)8(15)16/h4-5,11H,1-3,9H2,(H,10,12)(H,13,14)(H,15,16)/t4-,5-/m0/s1
InChIKey
SQBNIUOYNOKDTI-WHFBIAKZSA-N
Compound name
(2S)-2-amino-5-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

268
Patents

234.08519 Da
Monoisotopic Mass

-4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09247 151.5
[M+Na]+ 257.07441 153.6
[M+NH4]+ 252.11901 153.2
[M+K]+ 273.04835 155.3
[M-H]- 233.07791 145.5
[M+Na-2H]- 255.05986 148.1
[M]+ 234.08464 148.9
[M]- 234.08574 148.9
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