CID 63967733

3-(pyrazin-2-yl)prop-2-yn-1-ol

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CN=C(C=N1)C#CCO
InChI
InChI=1S/C7H6N2O/c10-5-1-2-7-6-8-3-4-9-7/h3-4,6,10H,5H2
InChIKey
GWYFKZJQFPOHEL-UHFFFAOYSA-N
Compound name
3-pyrazin-2-ylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.04802 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 128.9
[M+Na]+ 157.03724 141.6
[M+NH4]+ 152.08184 133.2
[M+K]+ 173.01118 132.5
[M-H]- 133.04074 121.5
[M+Na-2H]- 155.02269 133.1
[M]+ 134.04747 127.7
[M]- 134.04857 127.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.