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

806
Patents

106.0531 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.060376 117.6
[M+Na]+ 129.042318 126.7
[M-H]- 105.045824 118.7
[M+NH4]+ 124.086923 138.0
[M+K]+ 145.016258 124.9
[M+H-H2O]+ 89.050360 110.9
[M+HCOO]- 151.051301 140.8
[M+CH3COO]- 165.066951 166.8
[M+Na-2H]- 127.027766 127.8
[M]+ 106.05255142 116.8
[M]- 106.05364858 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