CID 376607

Nsc657618

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC1=CN(C(=O)NC1=O)COCC#C
InChI
InChI=1S/C9H10N2O3/c1-3-4-14-6-11-5-7(2)8(12)10-9(11)13/h1,5H,4,6H2,2H3,(H,10,12,13)
InChIKey
SXUKYUZVYLKUJJ-UHFFFAOYSA-N
Compound name
5-methyl-1-(prop-2-ynoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06914 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07642 136.4
[M+Na]+ 217.05836 148.0
[M-H]- 193.06186 134.9
[M+NH4]+ 212.10296 150.8
[M+K]+ 233.03230 144.5
[M+H-H2O]+ 177.06640 123.3
[M+HCOO]- 239.06734 152.0
[M+CH3COO]- 253.08299 188.7
[M+Na-2H]- 215.04381 140.9
[M]+ 194.06859 132.9
[M]- 194.06969 132.9
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

No patent data available for this compound.