CID 452913

6ethynyl-1(-2ohetome)t

Structural Information

Molecular Formula
C10H12N2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)C#C
InChI
InChI=1S/C10H12N2O4/c1-3-8-7(2)9(14)11-10(15)12(8)6-16-5-4-13/h1,13H,4-6H2,2H3,(H,11,14,15)
InChIKey
PLMDRSHIPAEVJO-UHFFFAOYSA-N
Compound name
6-ethynyl-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

224.07971 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.08699 143.8
[M+Na]+ 247.06893 155.2
[M-H]- 223.07243 141.3
[M+NH4]+ 242.11353 156.6
[M+K]+ 263.04287 151.5
[M+H-H2O]+ 207.07697 130.8
[M+HCOO]- 269.07791 157.9
[M+CH3COO]- 283.09356 192.3
[M+Na-2H]- 245.05438 146.7
[M]+ 224.07916 140.5
[M]- 224.08026 140.5
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.