CID 22639518

Pyridazin-3-ylmethanamine

Structural Information

Molecular Formula
C5H7N3
SMILES
C1=CC(=NN=C1)CN
InChI
InChI=1S/C5H7N3/c6-4-5-2-1-3-7-8-5/h1-3H,4,6H2
InChIKey
BCPGZEVUJXKIHK-UHFFFAOYSA-N
Compound name
pyridazin-3-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

266
Patents

109.063995 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 110.07127 119.0
[M+Na]+ 132.05321 127.4
[M-H]- 108.05672 119.6
[M+NH4]+ 127.09782 138.6
[M+K]+ 148.02715 125.8
[M+H-H2O]+ 92.061255 112.0
[M+HCOO]- 154.06220 142.7
[M+CH3COO]- 168.07785 168.7
[M+Na-2H]- 130.03866 128.9
[M]+ 109.06345 116.7
[M]- 109.06454 116.7
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