CID 146050009

Methyl 2-amino-3-fluorobut-3-enoate hydrochloride

Structural Information

Molecular Formula
C5H8FNO2
SMILES
COC(=O)C(C(=C)F)N
InChI
InChI=1S/C5H8FNO2/c1-3(6)4(7)5(8)9-2/h4H,1,7H2,2H3
InChIKey
GVVYOQSODBCFKI-UHFFFAOYSA-N
Compound name
methyl 2-amino-3-fluorobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.05391 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.061186 125.5
[M+Na]+ 156.043128 132.3
[M-H]- 132.046634 124.3
[M+NH4]+ 151.087733 146.7
[M+K]+ 172.017068 132.6
[M+H-H2O]+ 116.051170 120.0
[M+HCOO]- 178.052111 146.9
[M+CH3COO]- 192.067761 175.0
[M+Na-2H]- 154.028576 127.8
[M]+ 133.05336142 122.8
[M]- 133.05445858 122.8
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.