CID 63613405

[1-(prop-2-yn-1-yl)-1h-pyrazol-4-yl]methanamine dihydrochloride

Structural Information

Molecular Formula
C7H9N3
SMILES
C#CCN1C=C(C=N1)CN
InChI
InChI=1S/C7H9N3/c1-2-3-10-6-7(4-8)5-9-10/h1,5-6H,3-4,8H2
InChIKey
GQVPFJHYBONZJT-UHFFFAOYSA-N
Compound name
(1-prop-2-ynylpyrazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.07965 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.08693 126.4
[M+Na]+ 158.06887 136.5
[M-H]- 134.07237 125.2
[M+NH4]+ 153.11347 144.3
[M+K]+ 174.04281 133.6
[M+H-H2O]+ 118.07691 112.7
[M+HCOO]- 180.07785 144.0
[M+CH3COO]- 194.09350 183.2
[M+Na-2H]- 156.05432 130.9
[M]+ 135.07910 119.7
[M]- 135.08020 119.7
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.