CID 116011465

Methyl 3-(pyrazin-2-yl)prop-2-ynoate

Structural Information

Molecular Formula
C8H6N2O2
SMILES
COC(=O)C#CC1=NC=CN=C1
InChI
InChI=1S/C8H6N2O2/c1-12-8(11)3-2-7-6-9-4-5-10-7/h4-6H,1H3
InChIKey
CJBVQILUDCSTEI-UHFFFAOYSA-N
Compound name
methyl 3-pyrazin-2-ylprop-2-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.04292 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.05020 131.0
[M+Na]+ 185.03214 140.9
[M-H]- 161.03564 130.0
[M+NH4]+ 180.07674 146.6
[M+K]+ 201.00608 138.5
[M+H-H2O]+ 145.04018 117.3
[M+HCOO]- 207.04112 147.1
[M+CH3COO]- 221.05677 182.9
[M+Na-2H]- 183.01759 137.4
[M]+ 162.04237 126.3
[M]- 162.04347 126.3
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

No patent data available for this compound.