CID 82467727

(3,4-dimethyl-1h-pyrazol-5-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C6H11N3
SMILES
CC1=C(NN=C1CN)C
InChI
InChI=1S/C6H11N3/c1-4-5(2)8-9-6(4)3-7/h3,7H2,1-2H3,(H,8,9)
InChIKey
KWIVLMWFSGZLFF-UHFFFAOYSA-N
Compound name
(4,5-dimethyl-1H-pyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.0953 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.10258 125.3
[M+Na]+ 148.08452 135.9
[M+NH4]+ 143.12912 132.9
[M+K]+ 164.05846 132.7
[M-H]- 124.08802 125.7
[M+Na-2H]- 146.06997 130.1
[M]+ 125.09475 126.6
[M]- 125.09585 126.6
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.