CID 3074534

5-methoxy-1,3,6-trimethyluracil

Structural Information

Molecular Formula
C8H12N2O3
SMILES
CC1=C(C(=O)N(C(=O)N1C)C)OC
InChI
InChI=1S/C8H12N2O3/c1-5-6(13-4)7(11)10(3)8(12)9(5)2/h1-4H3
InChIKey
LVBGCTSNDVLRGO-UHFFFAOYSA-N
Compound name
5-methoxy-1,3,6-trimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.0848 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.09208 133.2
[M+Na]+ 207.07402 146.3
[M-H]- 183.07752 135.9
[M+NH4]+ 202.11862 151.8
[M+K]+ 223.04796 144.7
[M+H-H2O]+ 167.08206 127.0
[M+HCOO]- 229.08300 156.5
[M+CH3COO]- 243.09865 184.2
[M+Na-2H]- 205.05947 138.6
[M]+ 184.08425 138.8
[M]- 184.08535 138.8
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.