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]+ 169.016306 127.0
[M+Na]+ 190.998248 139.9
[M-H]- 167.001754 126.6
[M+NH4]+ 186.042853 143.7
[M+K]+ 206.972188 135.1
[M+H-H2O]+ 151.006290 114.7
[M+HCOO]- 213.007231 139.9
[M+CH3COO]- 227.022881 185.0
[M+Na-2H]- 188.983696 133.4
[M]+ 168.00848142 123.9
[M]- 168.00957858 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.