CID 56621500

1-(pent-4-yn-1-yl)-1h-pyrazol-4-amine dihydrochloride

Structural Information

Molecular Formula
C8H11N3
SMILES
C#CCCCN1C=C(C=N1)N
InChI
InChI=1S/C8H11N3/c1-2-3-4-5-11-7-8(9)6-10-11/h1,6-7H,3-5,9H2
InChIKey
IEWCABQKHLQEHN-UHFFFAOYSA-N
Compound name
1-pent-4-ynylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

149.09529 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.102566 130.3
[M+Na]+ 172.084508 140.0
[M-H]- 148.088014 128.9
[M+NH4]+ 167.129113 147.7
[M+K]+ 188.058448 136.8
[M+H-H2O]+ 132.092550 116.4
[M+HCOO]- 194.093491 147.6
[M+CH3COO]- 208.109141 185.9
[M+Na-2H]- 170.069956 134.3
[M]+ 149.09474142 123.9
[M]- 149.09583858 123.9
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