CID 216641

18928-01-3

Structural Information

Molecular Formula
C7H14N2O4
SMILES
CC(=O)N(CCC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C7H14N2O4/c1-5(10)9(13)4-2-3-6(8)7(11)12/h6,13H,2-4,8H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey
LUZHSHCYVQASCO-LURJTMIESA-N
Compound name
(2S)-5-[acetyl(hydroxy)amino]-2-aminopentanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

92
Patents

190.09535 Da
Monoisotopic Mass

-3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10263 142.6
[M+Na]+ 213.08457 146.8
[M-H]- 189.08807 140.8
[M+NH4]+ 208.12917 160.1
[M+K]+ 229.05851 147.7
[M+H-H2O]+ 173.09261 136.8
[M+HCOO]- 235.09355 163.3
[M+CH3COO]- 249.10920 186.3
[M+Na-2H]- 211.07002 142.8
[M]+ 190.09480 141.2
[M]- 190.09590 141.2
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