CID 82418986

1-(4-methyl-1h-pyrazol-3-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C5H9N3
SMILES
CC1=C(NN=C1)CN
InChI
InChI=1S/C5H9N3/c1-4-3-7-8-5(4)2-6/h3H,2,6H2,1H3,(H,7,8)
InChIKey
YNTYLNZYNAMBNJ-UHFFFAOYSA-N
Compound name
(4-methyl-1H-pyrazol-5-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

111.07965 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.08693 120.8
[M+Na]+ 134.06887 131.3
[M+NH4]+ 129.11347 128.6
[M+K]+ 150.04281 128.1
[M-H]- 110.07237 121.2
[M+Na-2H]- 132.05432 126.2
[M]+ 111.07910 122.1
[M]- 111.08020 122.1
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.