CID 22605826

3-chloro-1,2-dihydropyrazin-2-one

Structural Information

Molecular Formula
C4H3ClN2O
SMILES
C1=CN=C(C(=O)N1)Cl
InChI
InChI=1S/C4H3ClN2O/c5-3-4(8)7-2-1-6-3/h1-2H,(H,7,8)
InChIKey
GRTBIIMNXROPAX-UHFFFAOYSA-N
Compound name
3-chloro-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

129.9934 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.00068 117.9
[M+Na]+ 152.98262 128.9
[M-H]- 128.98612 117.9
[M+NH4]+ 148.02722 137.6
[M+K]+ 168.95656 125.2
[M+H-H2O]+ 112.99066 112.4
[M+HCOO]- 174.99160 135.7
[M+CH3COO]- 189.00725 165.2
[M+Na-2H]- 150.96807 127.2
[M]+ 129.99285 118.0
[M]- 129.99395 118.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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