CID 5275341

1-[(1r,3s)-3-(hydroxymethyl)-1,2,2-trimethyl-cyclopentyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C13H20N2O3
SMILES
C[C@]1(CC[C@@H](C1(C)C)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C13H20N2O3/c1-12(2)9(8-16)4-6-13(12,3)15-7-5-10(17)14-11(15)18/h5,7,9,16H,4,6,8H2,1-3H3,(H,14,17,18)/t9-,13-/m1/s1
InChIKey
XJIODJGHGWBIFR-NOZJJQNGSA-N
Compound name
1-[(1R,3S)-3-(hydroxymethyl)-1,2,2-trimethylcyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

252.1474 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 153.4
[M+Na]+ 275.13662 163.6
[M-H]- 251.14012 156.0
[M+NH4]+ 270.18122 172.9
[M+K]+ 291.11056 159.5
[M+H-H2O]+ 235.14466 147.9
[M+HCOO]- 297.14560 171.5
[M+CH3COO]- 311.16125 188.6
[M+Na-2H]- 273.12207 156.7
[M]+ 252.14685 152.9
[M]- 252.14795 152.9
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.