CID 55285718

Methyl 3-amino-2-fluoropropanoate hydrochloride

Structural Information

Molecular Formula
C4H8FNO2
SMILES
COC(=O)[C@H](CN)F
InChI
InChI=1S/C4H8FNO2/c1-8-4(7)3(5)2-6/h3H,2,6H2,1H3/t3-/m0/s1
InChIKey
WOVBJOLECSYCJY-VKHMYHEASA-N
Compound name
methyl (2S)-3-amino-2-fluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

121.05391 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.061186 122.1
[M+Na]+ 144.043128 129.2
[M-H]- 120.046634 120.9
[M+NH4]+ 139.087733 143.9
[M+K]+ 160.017068 129.9
[M+H-H2O]+ 104.051170 116.5
[M+HCOO]- 166.052111 144.6
[M+CH3COO]- 180.067761 172.0
[M+Na-2H]- 142.028576 126.2
[M]+ 121.05336142 120.3
[M]- 121.05445858 120.3
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

patents stripe