CID 7446898

5-(aminomethyl)-3-methylpyrazole dihydrochloride

Structural Information

Molecular Formula
C5H9N3
SMILES
CC1=CC(=NN1)CN
InChI
InChI=1S/C5H9N3/c1-4-2-5(3-6)8-7-4/h2H,3,6H2,1H3,(H,7,8)
InChIKey
JDYUVIGEKYZHLK-UHFFFAOYSA-N
Compound name
(5-methyl-1H-pyrazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
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 121.1
[M+Na]+ 134.06887 129.9
[M-H]- 110.07237 120.7
[M+NH4]+ 129.11347 142.1
[M+K]+ 150.04281 127.7
[M+H-H2O]+ 94.076910 114.6
[M+HCOO]- 156.07785 144.0
[M+CH3COO]- 170.09350 167.3
[M+Na-2H]- 132.05432 127.2
[M]+ 111.07910 118.0
[M]- 111.08020 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe