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

5863
Patents

160.0848 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.092076 134.9
[M+Na]+ 183.074018 140.0
[M-H]- 159.077524 132.6
[M+NH4]+ 178.118623 153.5
[M+K]+ 199.047958 139.2
[M+H-H2O]+ 143.082060 129.3
[M+HCOO]- 205.083001 157.0
[M+CH3COO]- 219.098651 178.5
[M+Na-2H]- 181.059466 137.0
[M]+ 160.08425142 132.0
[M]- 160.08534858 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