CID 71300065

2-ethynyl-3-methylpyrazine

Structural Information

Molecular Formula
C7H6N2
SMILES
CC1=NC=CN=C1C#C
InChI
InChI=1S/C7H6N2/c1-3-7-6(2)8-4-5-9-7/h1,4-5H,2H3
InChIKey
DUMMLPHEHHODSV-UHFFFAOYSA-N
Compound name
2-ethynyl-3-methylpyrazine
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 123.8
[M+Na]+ 141.04232 137.7
[M+NH4]+ 136.08692 128.9
[M+K]+ 157.01626 128.1
[M-H]- 117.04582 117.4
[M+Na-2H]- 139.02777 128.9
[M]+ 118.05255 123.2
[M]- 118.05365 123.2
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