CID 57775216

4-ethynyl-pyridazine

Structural Information

Molecular Formula
C6H4N2
SMILES
C#CC1=CN=NC=C1
InChI
InChI=1S/C6H4N2/c1-2-6-3-4-7-8-5-6/h1,3-5H
InChIKey
BEZATQMRVUALQD-UHFFFAOYSA-N
Compound name
4-ethynylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

104.037445 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.04472 116.1
[M+Na]+ 127.02666 126.7
[M-H]- 103.03017 115.2
[M+NH4]+ 122.07127 133.8
[M+K]+ 143.00060 123.9
[M+H-H2O]+ 87.034705 103.0
[M+HCOO]- 149.03565 133.0
[M+CH3COO]- 163.05130 175.9
[M+Na-2H]- 125.01211 124.8
[M]+ 104.03690 109.7
[M]- 104.03799 109.7
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