CID 6436272

Aviglycine

Structural Information

Molecular Formula
C6H12N2O3
SMILES
C(CO/C=C/[C@@H](C(=O)O)N)N
InChI
InChI=1S/C6H12N2O3/c7-2-4-11-3-1-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1
InChIKey
USGUVNUTPWXWBA-JRIXXDKMSA-N
Compound name
(E,2S)-2-amino-4-(2-aminoethoxy)but-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

99
References

5808
Patents

160.0848 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09208 134.9
[M+Na]+ 183.07402 140.0
[M-H]- 159.07752 132.6
[M+NH4]+ 178.11862 153.5
[M+K]+ 199.04796 139.2
[M+H-H2O]+ 143.08206 129.3
[M+HCOO]- 205.08300 157.0
[M+CH3COO]- 219.09865 178.5
[M+Na-2H]- 181.05947 137.0
[M]+ 160.08425 132.0
[M]- 160.08535 132.0
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

No patent data available for this compound.