CID 500274

Nsc680330

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CC1=CN(C(=O)NC1=O)C2CC2CO
InChI
InChI=1S/C9H12N2O3/c1-5-3-11(7-2-6(7)4-12)9(14)10-8(5)13/h3,6-7,12H,2,4H2,1H3,(H,10,13,14)
InChIKey
CKCWEDIWMYALPQ-UHFFFAOYSA-N
Compound name
1-[2-(hydroxymethyl)cyclopropyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 145.4
[M+Na]+ 219.07402 157.9
[M-H]- 195.07752 148.8
[M+NH4]+ 214.11862 156.9
[M+K]+ 235.04796 152.2
[M+H-H2O]+ 179.08206 138.4
[M+HCOO]- 241.08300 165.7
[M+CH3COO]- 255.09865 182.9
[M+Na-2H]- 217.05947 149.6
[M]+ 196.08425 148.2
[M]- 196.08535 148.2
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.