CID 23005646

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

Structural Information

Molecular Formula
C5H9N3
SMILES
CCC1=C(C=NN1)N
InChI
InChI=1S/C5H9N3/c1-2-5-4(6)3-7-8-5/h3H,2,6H2,1H3,(H,7,8)
InChIKey
AMBUTUSRGNEOAG-UHFFFAOYSA-N
Compound name
5-ethyl-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

111.07965 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.086926 121.1
[M+Na]+ 134.068868 129.9
[M-H]- 110.072374 120.7
[M+NH4]+ 129.113473 142.1
[M+K]+ 150.042808 127.7
[M+H-H2O]+ 94.076910 114.6
[M+HCOO]- 156.077851 144.0
[M+CH3COO]- 170.093501 167.3
[M+Na-2H]- 132.054316 127.2
[M]+ 111.07910142 118.0
[M]- 111.08019858 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