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
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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 129.3
[M+Na]+ 158.06887 139.9
[M+NH4]+ 153.11347 133.4
[M+K]+ 174.04281 132.9
[M-H]- 134.07237 122.0
[M+Na-2H]- 156.05432 131.8
[M]+ 135.07910 127.7
[M]- 135.08020 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.