CID 66441839

5-ethyl-1-(3-methylbutyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C10H19N3
SMILES
CCC1=C(C=NN1CCC(C)C)N
InChI
InChI=1S/C10H19N3/c1-4-10-9(11)7-12-13(10)6-5-8(2)3/h7-8H,4-6,11H2,1-3H3
InChIKey
RMGUIIIBCAVDEL-UHFFFAOYSA-N
Compound name
5-ethyl-1-(3-methylbutyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1579 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.16518 143.8
[M+Na]+ 204.14712 151.5
[M-H]- 180.15062 144.5
[M+NH4]+ 199.19172 163.0
[M+K]+ 220.12106 149.5
[M+H-H2O]+ 164.15516 136.5
[M+HCOO]- 226.15610 165.6
[M+CH3COO]- 240.17175 187.1
[M+Na-2H]- 202.13257 145.8
[M]+ 181.15735 144.2
[M]- 181.15845 144.2
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.