CID 3077690

5-hydroxy-1,3,6-trimethyluracil

Structural Information

Molecular Formula
C7H10N2O3
SMILES
CC1=C(C(=O)N(C(=O)N1C)C)O
InChI
InChI=1S/C7H10N2O3/c1-4-5(10)6(11)9(3)7(12)8(4)2/h10H,1-3H3
InChIKey
IBZZBLDUUWGFFF-UHFFFAOYSA-N
Compound name
5-hydroxy-1,3,6-trimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.06914 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.07642 130.0
[M+Na]+ 193.05836 143.0
[M-H]- 169.06186 131.5
[M+NH4]+ 188.10296 148.4
[M+K]+ 209.03230 140.8
[M+H-H2O]+ 153.06640 124.2
[M+HCOO]- 215.06734 152.1
[M+CH3COO]- 229.08299 178.7
[M+Na-2H]- 191.04381 135.3
[M]+ 170.06859 133.2
[M]- 170.06969 133.2
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