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

98
References

5710
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

literature stripe

Patent stripe

patents stripe