CID 55281756

1-amino-3-fluoropropan-2-ol hydrochloride

Structural Information

Molecular Formula
C3H8FNO
SMILES
C(C(CF)O)N
InChI
InChI=1S/C3H8FNO/c4-1-3(6)2-5/h3,6H,1-2,5H2
InChIKey
YNYGCUBTRXYATN-UHFFFAOYSA-N
Compound name
1-amino-3-fluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

93.05899 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 94.066266 116.1
[M+Na]+ 116.04821 123.0
[M-H]- 92.051714 113.5
[M+NH4]+ 111.09281 138.3
[M+K]+ 132.02215 122.7
[M+H-H2O]+ 76.056250 111.0
[M+HCOO]- 138.05719 137.9
[M+CH3COO]- 152.07284 165.0
[M+Na-2H]- 114.03366 121.4
[M]+ 93.058441 112.0
[M]- 93.059539 112.0
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