CID 49767571

1-[(1r,4s)-4-(hydroxymethyl)-3,4-dimethyl-cyclopent-2-en-1-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC1=C[C@@H](C[C@]1(C)CO)N2C=CC(=O)NC2=O
InChI
InChI=1S/C12H16N2O3/c1-8-5-9(6-12(8,2)7-15)14-4-3-10(16)13-11(14)17/h3-5,9,15H,6-7H2,1-2H3,(H,13,16,17)/t9-,12+/m0/s1
InChIKey
AUOOLHIBRNVHRJ-JOYOIKCWSA-N
Compound name
1-[(1R,4S)-4-(hydroxymethyl)-3,4-dimethylcyclopent-2-en-1-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

236.11609 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 149.7
[M+Na]+ 259.105308 160.3
[M-H]- 235.108814 152.4
[M+NH4]+ 254.149913 167.8
[M+K]+ 275.079248 155.9
[M+H-H2O]+ 219.113350 143.3
[M+HCOO]- 281.114291 169.5
[M+CH3COO]- 295.129941 185.5
[M+Na-2H]- 257.090756 152.9
[M]+ 236.11554142 149.7
[M]- 236.11663858 149.7
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.