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]+ 182.16518 144.5
[M+Na]+ 204.14712 150.8
[M-H]- 180.15062 143.4
[M+NH4]+ 199.19172 162.6
[M+K]+ 220.12106 147.9
[M+H-H2O]+ 164.15516 137.1
[M+HCOO]- 226.15610 164.8
[M+CH3COO]- 240.17175 183.3
[M+Na-2H]- 202.13257 146.7
[M]+ 181.15735 142.6
[M]- 181.15845 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.