CID 59418298

3-(azetidin-3-yl)pyridazine dihydrochloride

Structural Information

Molecular Formula
C7H9N3
SMILES
C1C(CN1)C2=NN=CC=C2
InChI
InChI=1S/C7H9N3/c1-2-7(10-9-3-1)6-4-8-5-6/h1-3,6,8H,4-5H2
InChIKey
YOMAPICHBJCGTP-UHFFFAOYSA-N
Compound name
3-(azetidin-3-yl)pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

135.07965 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.086926 124.9
[M+Na]+ 158.068868 131.6
[M-H]- 134.072374 125.7
[M+NH4]+ 153.113473 135.4
[M+K]+ 174.042808 131.8
[M+H-H2O]+ 118.076910 111.7
[M+HCOO]- 180.077851 143.0
[M+CH3COO]- 194.093501 172.9
[M+Na-2H]- 156.054316 133.5
[M]+ 135.07910142 129.6
[M]- 135.08019858 129.6
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