CID 43125592

3-(heptan-3-yl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C10H19N3
SMILES
CCCCC(CC)C1=CC(=NN1)N
InChI
InChI=1S/C10H19N3/c1-3-5-6-8(4-2)9-7-10(11)13-12-9/h7-8H,3-6H2,1-2H3,(H3,11,12,13)
InChIKey
FITREMZWOJSQAT-UHFFFAOYSA-N
Compound name
5-heptan-3-yl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.1579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.165176 144.5
[M+Na]+ 204.147118 150.8
[M-H]- 180.150624 143.4
[M+NH4]+ 199.191723 162.6
[M+K]+ 220.121058 147.9
[M+H-H2O]+ 164.155160 137.1
[M+HCOO]- 226.156101 164.8
[M+CH3COO]- 240.171751 183.3
[M+Na-2H]- 202.132566 146.7
[M]+ 181.15735142 142.6
[M]- 181.15844858 142.6
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.