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]+ 134.06119 125.5
[M+Na]+ 156.04313 132.3
[M-H]- 132.04663 124.3
[M+NH4]+ 151.08773 146.7
[M+K]+ 172.01707 132.6
[M+H-H2O]+ 116.05117 120.0
[M+HCOO]- 178.05211 146.9
[M+CH3COO]- 192.06776 175.0
[M+Na-2H]- 154.02858 127.8
[M]+ 133.05336 122.8
[M]- 133.05446 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.