CID 452907

6cl-1-(2ohetome)t

Structural Information

Molecular Formula
C8H11ClN2O4
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)Cl
InChI
InChI=1S/C8H11ClN2O4/c1-5-6(9)11(4-15-3-2-12)8(14)10-7(5)13/h12H,2-4H2,1H3,(H,10,13,14)
InChIKey
APOHMHSJHSNWMU-UHFFFAOYSA-N
Compound name
6-chloro-1-(2-hydroxyethoxymethyl)-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

234.04074 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.04802 143.4
[M+Na]+ 257.02996 155.0
[M-H]- 233.03346 142.6
[M+NH4]+ 252.07456 158.9
[M+K]+ 273.00390 150.4
[M+H-H2O]+ 217.03800 137.6
[M+HCOO]- 279.03894 159.2
[M+CH3COO]- 293.05459 184.0
[M+Na-2H]- 255.01541 147.9
[M]+ 234.04019 147.9
[M]- 234.04129 147.9
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.