CID 12344719

3-ethenylpyridazine

Structural Information

Molecular Formula
C6H6N2
SMILES
C=CC1=NN=CC=C1
InChI
InChI=1S/C6H6N2/c1-2-6-4-3-5-7-8-6/h2-5H,1H2
InChIKey
DTYXUWCJYMNDQD-UHFFFAOYSA-N
Compound name
3-ethenylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

969
Patents

106.0531 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.06038 117.6
[M+Na]+ 129.04232 126.7
[M-H]- 105.04582 118.7
[M+NH4]+ 124.08692 138.0
[M+K]+ 145.01626 124.9
[M+H-H2O]+ 89.050360 110.9
[M+HCOO]- 151.05130 140.8
[M+CH3COO]- 165.06695 166.8
[M+Na-2H]- 127.02777 127.8
[M]+ 106.05255 116.8
[M]- 106.05365 116.8
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