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

19
Patents

121.05391 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.06119 122.1
[M+Na]+ 144.04313 129.2
[M-H]- 120.04663 120.9
[M+NH4]+ 139.08773 143.9
[M+K]+ 160.01707 129.9
[M+H-H2O]+ 104.05117 116.5
[M+HCOO]- 166.05211 144.6
[M+CH3COO]- 180.06776 172.0
[M+Na-2H]- 142.02858 126.2
[M]+ 121.05336 120.3
[M]- 121.05446 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