CID 80697859

1-(2-fluoroethyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C5H8FN3
SMILES
C1=CN(N=C1N)CCF
InChI
InChI=1S/C5H8FN3/c6-2-4-9-3-1-5(7)8-9/h1,3H,2,4H2,(H2,7,8)
InChIKey
MWSMIKDDSZIQEU-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

129.07022 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.077496 122.3
[M+Na]+ 152.059438 131.4
[M-H]- 128.062944 121.8
[M+NH4]+ 147.104043 143.1
[M+K]+ 168.033378 129.8
[M+H-H2O]+ 112.067480 114.5
[M+HCOO]- 174.068421 145.6
[M+CH3COO]- 188.084071 172.7
[M+Na-2H]- 150.044886 128.3
[M]+ 129.06967142 119.9
[M]- 129.07076858 119.9
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