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 125.8
[M+Na]+ 148.08452 135.0
[M-H]- 124.08802 125.6
[M+NH4]+ 143.12912 146.5
[M+K]+ 164.05846 132.6
[M+H-H2O]+ 108.09256 119.4
[M+HCOO]- 170.09350 148.3
[M+CH3COO]- 184.10915 171.5
[M+Na-2H]- 146.06997 130.5
[M]+ 125.09475 123.4
[M]- 125.09585 123.4
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.