CID 98786

3,5,6-trimethyluracil

Structural Information

Molecular Formula
C7H10N2O2
SMILES
CC1=C(NC(=O)N(C1=O)C)C
InChI
InChI=1S/C7H10N2O2/c1-4-5(2)8-7(11)9(3)6(4)10/h1-3H3,(H,8,11)
InChIKey
JXAVGTALFKNUHV-UHFFFAOYSA-N
Compound name
3,5,6-trimethyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

154.07423 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.08151 127.6
[M+Na]+ 177.06345 139.8
[M-H]- 153.06695 128.7
[M+NH4]+ 172.10805 146.5
[M+K]+ 193.03739 137.0
[M+H-H2O]+ 137.07149 121.7
[M+HCOO]- 199.07243 149.5
[M+CH3COO]- 213.08808 175.2
[M+Na-2H]- 175.04890 133.6
[M]+ 154.07368 129.0
[M]- 154.07478 129.0
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.