CID 66440829

1-butyl-5-(propan-2-yl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C10H19N3
SMILES
CCCCN1C(=C(C=N1)N)C(C)C
InChI
InChI=1S/C10H19N3/c1-4-5-6-13-10(8(2)3)9(11)7-12-13/h7-8H,4-6,11H2,1-3H3
InChIKey
OPMRCGVJKANYKH-UHFFFAOYSA-N
Compound name
1-butyl-5-propan-2-ylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1579 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.165176 143.8
[M+Na]+ 204.147118 151.5
[M-H]- 180.150624 144.5
[M+NH4]+ 199.191723 163.0
[M+K]+ 220.121058 149.5
[M+H-H2O]+ 164.155160 136.5
[M+HCOO]- 226.156101 165.6
[M+CH3COO]- 240.171751 187.1
[M+Na-2H]- 202.132566 145.8
[M]+ 181.15735142 144.2
[M]- 181.15844858 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.