CID 68305036

1-(2-fluoroethyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C5H8FN3
SMILES
C1=C(C=NN1CCF)N
InChI
InChI=1S/C5H8FN3/c6-1-2-9-4-5(7)3-8-9/h3-4H,1-2,7H2
InChIKey
QYDRCDBDMYJZQQ-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

129.07022 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.07750 122.3
[M+Na]+ 152.05944 131.4
[M-H]- 128.06294 121.8
[M+NH4]+ 147.10404 143.1
[M+K]+ 168.03338 129.8
[M+H-H2O]+ 112.06748 114.5
[M+HCOO]- 174.06842 145.6
[M+CH3COO]- 188.08407 172.7
[M+Na-2H]- 150.04489 128.3
[M]+ 129.06967 119.9
[M]- 129.07077 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