CID 452901

1-(2ohetome)-6meot

Structural Information

Molecular Formula
C9H14N2O5
SMILES
CC1=C(N(C(=O)NC1=O)COCCO)OC
InChI
InChI=1S/C9H14N2O5/c1-6-7(13)10-9(14)11(8(6)15-2)5-16-4-3-12/h12H,3-5H2,1-2H3,(H,10,13,14)
InChIKey
ZGCYJTDWRJBEGZ-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethoxymethyl)-6-methoxy-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.09027 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.09755 146.1
[M+Na]+ 253.07949 156.4
[M-H]- 229.08299 145.3
[M+NH4]+ 248.12409 160.7
[M+K]+ 269.05343 153.9
[M+H-H2O]+ 213.08753 139.1
[M+HCOO]- 275.08847 166.3
[M+CH3COO]- 289.10412 185.4
[M+Na-2H]- 251.06494 150.5
[M]+ 230.08972 150.6
[M]- 230.09082 150.6
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.