CID 171035980

1-ethyl-4-fluoro-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C5H8FN3
SMILES
CCN1C(=C(C=N1)F)N
InChI
InChI=1S/C5H8FN3/c1-2-9-5(7)4(6)3-8-9/h3H,2,7H2,1H3
InChIKey
MBZRZVJTWAXVKA-UHFFFAOYSA-N
Compound name
2-ethyl-4-fluoropyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

129.07022 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.07750 122.4
[M+Na]+ 152.05944 132.5
[M-H]- 128.06294 122.3
[M+NH4]+ 147.10404 143.6
[M+K]+ 168.03338 130.8
[M+H-H2O]+ 112.06748 114.9
[M+HCOO]- 174.06842 145.7
[M+CH3COO]- 188.08407 173.8
[M+Na-2H]- 150.04489 127.7
[M]+ 129.06967 120.4
[M]- 129.07077 120.4
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

No patent data available for this compound.