CID 12774755

N,1-dimethyl-1h-pyrazol-3-amine hydrochloride

Structural Information

Molecular Formula
C5H9N3
SMILES
CNC1=NN(C=C1)C
InChI
InChI=1S/C5H9N3/c1-6-5-3-4-8(2)7-5/h3-4H,1-2H3,(H,6,7)
InChIKey
KHWXEOSBFOWCJU-UHFFFAOYSA-N
Compound name
N,1-dimethylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

111.07965 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.086926 120.0
[M+Na]+ 134.068868 129.1
[M-H]- 110.072374 121.4
[M+NH4]+ 129.113473 141.9
[M+K]+ 150.042808 128.3
[M+H-H2O]+ 94.076910 113.2
[M+HCOO]- 156.077851 145.0
[M+CH3COO]- 170.093501 170.6
[M+Na-2H]- 132.054316 127.6
[M]+ 111.07910142 119.8
[M]- 111.08019858 119.8
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