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]+ 237.12337 149.7
[M+Na]+ 259.10531 160.3
[M-H]- 235.10881 152.4
[M+NH4]+ 254.14991 167.8
[M+K]+ 275.07925 155.9
[M+H-H2O]+ 219.11335 143.3
[M+HCOO]- 281.11429 169.5
[M+CH3COO]- 295.12994 185.5
[M+Na-2H]- 257.09076 152.9
[M]+ 236.11554 149.7
[M]- 236.11664 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.