CID 20607227

Methyl[(pyridazin-3-yl)methyl]amine dihydrochloride

Structural Information

Molecular Formula
C6H9N3
SMILES
CNCC1=NN=CC=C1
InChI
InChI=1S/C6H9N3/c1-7-5-6-3-2-4-8-9-6/h2-4,7H,5H2,1H3
InChIKey
MQEHOFSSQIQCJV-UHFFFAOYSA-N
Compound name
N-methyl-1-pyridazin-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

123.07965 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 123.1
[M+Na]+ 146.068868 131.0
[M-H]- 122.072374 124.0
[M+NH4]+ 141.113473 142.4
[M+K]+ 162.042808 129.6
[M+H-H2O]+ 106.076910 115.8
[M+HCOO]- 168.077851 147.1
[M+CH3COO]- 182.093501 172.4
[M+Na-2H]- 144.054316 133.5
[M]+ 123.07910142 122.2
[M]- 123.08019858 122.2
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

patents stripe