CID 15034997

4-pyridazinemethanamine

Structural Information

Molecular Formula
C5H7N3
SMILES
C1=CN=NC=C1CN
InChI
InChI=1S/C5H7N3/c6-3-5-1-2-7-8-4-5/h1-2,4H,3,6H2
InChIKey
SEQBQXBBDMPPPX-UHFFFAOYSA-N
Compound name
pyridazin-4-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

201
Patents

109.063995 Da
Monoisotopic Mass

-1.8
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

literature stripe

Patent stripe

patents stripe