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]+ 150.10257 130.3
[M+Na]+ 172.08451 140.0
[M-H]- 148.08801 128.9
[M+NH4]+ 167.12911 147.7
[M+K]+ 188.05845 136.8
[M+H-H2O]+ 132.09255 116.4
[M+HCOO]- 194.09349 147.6
[M+CH3COO]- 208.10914 185.9
[M+Na-2H]- 170.06996 134.3
[M]+ 149.09474 123.9
[M]- 149.09584 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