CID 452911

125056-88-4

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC#CC1=C(C(=O)NC(=O)N1COCCO)C
InChI
InChI=1S/C11H14N2O4/c1-3-4-9-8(2)10(15)12-11(16)13(9)7-17-6-5-14/h14H,5-7H2,1-2H3,(H,12,15,16)
InChIKey
AWSAOTZCPBDVQT-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-5-methyl-6-prop-1-ynylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

238.09535 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 148.0
[M+Na]+ 261.08457 159.1
[M-H]- 237.08807 145.4
[M+NH4]+ 256.12917 160.4
[M+K]+ 277.05851 155.2
[M+H-H2O]+ 221.09261 134.9
[M+HCOO]- 283.09355 161.9
[M+CH3COO]- 297.10920 194.4
[M+Na-2H]- 259.07002 150.5
[M]+ 238.09480 145.0
[M]- 238.09590 145.0
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.