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

7
Patents

118.0531 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.060376 119.6
[M+Na]+ 141.042318 130.8
[M-H]- 117.045824 119.1
[M+NH4]+ 136.086923 137.2
[M+K]+ 157.016258 127.8
[M+H-H2O]+ 101.050360 106.7
[M+HCOO]- 163.051301 136.4
[M+CH3COO]- 177.066951 179.5
[M+Na-2H]- 139.027766 127.3
[M]+ 118.05255142 114.0
[M]- 118.05364858 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