CID 11789157

4-ethyl-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C5H9N3
SMILES
CCC1=C(NN=C1)N
InChI
InChI=1S/C5H9N3/c1-2-4-3-7-8-5(4)6/h3H,2H2,1H3,(H3,6,7,8)
InChIKey
RDCODVKTTJWFAR-UHFFFAOYSA-N
Compound name
4-ethyl-1H-pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

187
Patents

111.07965 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.08693 121.1
[M+Na]+ 134.06887 129.9
[M-H]- 110.07237 120.7
[M+NH4]+ 129.11347 142.1
[M+K]+ 150.04281 127.7
[M+H-H2O]+ 94.076910 114.6
[M+HCOO]- 156.07785 144.0
[M+CH3COO]- 170.09350 167.3
[M+Na-2H]- 132.05432 127.2
[M]+ 111.07910 118.0
[M]- 111.08020 118.0
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