CID 57775216

4-ethynylpyridazine

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

80
Patents

104.037445 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.044721 116.1
[M+Na]+ 127.026663 126.7
[M-H]- 103.030169 115.2
[M+NH4]+ 122.071268 133.8
[M+K]+ 143.000603 123.9
[M+H-H2O]+ 87.034705 103.0
[M+HCOO]- 149.035646 133.0
[M+CH3COO]- 163.051296 175.9
[M+Na-2H]- 125.012111 124.8
[M]+ 104.03689642 109.7
[M]- 104.03799358 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