CID 114561668

3-chloro-1-(prop-2-yn-1-yl)-1,2-dihydropyrazin-2-one

Structural Information

Molecular Formula
C7H5ClN2O
SMILES
C#CCN1C=CN=C(C1=O)Cl
InChI
InChI=1S/C7H5ClN2O/c1-2-4-10-5-3-9-6(8)7(10)11/h1,3,5H,4H2
InChIKey
NYWJECBJNQAUHF-UHFFFAOYSA-N
Compound name
3-chloro-1-prop-2-ynylpyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.00903 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.01631 127.0
[M+Na]+ 190.99825 139.9
[M-H]- 167.00175 126.6
[M+NH4]+ 186.04285 143.7
[M+K]+ 206.97219 135.1
[M+H-H2O]+ 151.00629 114.7
[M+HCOO]- 213.00723 139.9
[M+CH3COO]- 227.02288 185.0
[M+Na-2H]- 188.98370 133.4
[M]+ 168.00848 123.9
[M]- 168.00958 123.9
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.