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]+ 155.081506 127.6
[M+Na]+ 177.063448 139.8
[M-H]- 153.066954 128.7
[M+NH4]+ 172.108053 146.5
[M+K]+ 193.037388 137.0
[M+H-H2O]+ 137.071490 121.7
[M+HCOO]- 199.072431 149.5
[M+CH3COO]- 213.088081 175.2
[M+Na-2H]- 175.048896 133.6
[M]+ 154.07368142 129.0
[M]- 154.07477858 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

literature stripe

Patent stripe

patents stripe