CID 131704162

3-ethynyl-5-methylpyridazine

Structural Information

Molecular Formula
C7H6N2
SMILES
CC1=CC(=NN=C1)C#C
InChI
InChI=1S/C7H6N2/c1-3-7-4-6(2)5-8-9-7/h1,4-5H,2H3
InChIKey
LGQFNQWWADTNEX-UHFFFAOYSA-N
Compound name
3-ethynyl-5-methylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

118.0531 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.06038 119.6
[M+Na]+ 141.04232 130.8
[M-H]- 117.04582 119.1
[M+NH4]+ 136.08692 137.2
[M+K]+ 157.01626 127.8
[M+H-H2O]+ 101.05036 106.7
[M+HCOO]- 163.05130 136.4
[M+CH3COO]- 177.06695 179.5
[M+Na-2H]- 139.02777 127.3
[M]+ 118.05255 114.0
[M]- 118.05365 114.0
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