CID 7018640

1-ethyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C5H9N3
SMILES
CCN1C=C(C=N1)N
InChI
InChI=1S/C5H9N3/c1-2-8-4-5(6)3-7-8/h3-4H,2,6H2,1H3
InChIKey
HENLKZLWIDJRSC-UHFFFAOYSA-N
Compound name
1-ethylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

687
Patents

111.07965 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.08693 120.3
[M+Na]+ 134.06887 129.5
[M-H]- 110.07237 121.3
[M+NH4]+ 129.11347 142.0
[M+K]+ 150.04281 128.3
[M+H-H2O]+ 94.076910 113.6
[M+HCOO]- 156.07785 144.8
[M+CH3COO]- 170.09350 169.9
[M+Na-2H]- 132.05432 126.9
[M]+ 111.07910 119.1
[M]- 111.08020 119.1
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