CID 88668

2-hydroxy-5-methylpyrazine

Structural Information

Molecular Formula
C5H6N2O
SMILES
CC1=CNC(=O)C=N1
InChI
InChI=1S/C5H6N2O/c1-4-2-7-5(8)3-6-4/h2-3H,1H3,(H,7,8)
InChIKey
MJJNWPBBFIRYCW-UHFFFAOYSA-N
Compound name
5-methyl-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

228
Patents

110.04801 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.05529 117.4
[M+Na]+ 133.03723 127.5
[M-H]- 109.04073 117.7
[M+NH4]+ 128.08183 137.2
[M+K]+ 149.01117 125.3
[M+H-H2O]+ 93.045270 111.3
[M+HCOO]- 155.04621 139.6
[M+CH3COO]- 169.06186 164.2
[M+Na-2H]- 131.02268 126.7
[M]+ 110.04746 116.2
[M]- 110.04856 116.2
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

No patent data available for this compound.