CID 3073821

4(1h)-pyrimidinone, 5-(1-methyl-1h-pyrrol-2-yl)-

Structural Information

Molecular Formula
C9H9N3O
SMILES
CN1C=CC=C1C2=CN=CNC2=O
InChI
InChI=1S/C9H9N3O/c1-12-4-2-3-8(12)7-5-10-6-11-9(7)13/h2-6H,1H3,(H,10,11,13)
InChIKey
LDUAOQQTLBZURY-UHFFFAOYSA-N
Compound name
5-(1-methylpyrrol-2-yl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 136.0
[M+Na]+ 198.06377 150.0
[M+NH4]+ 193.10837 143.5
[M+K]+ 214.03771 145.7
[M-H]- 174.06727 137.6
[M+Na-2H]- 196.04922 144.1
[M]+ 175.07400 138.3
[M]- 175.07510 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.