CID 3012012

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

Structural Information

Molecular Formula
C11H16N2O3
SMILES
C1C[C@@H]([C@@H](C1)CO)CN2C=CC(=O)NC2=O
InChI
InChI=1S/C11H16N2O3/c14-7-9-3-1-2-8(9)6-13-5-4-10(15)12-11(13)16/h4-5,8-9,14H,1-3,6-7H2,(H,12,15,16)/t8-,9+/m1/s1
InChIKey
UFOQKVCLMJHIKA-BDAKNGLRSA-N
Compound name
1-[[(1S,2R)-2-(hydroxymethyl)cyclopentyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 148.5
[M+Na]+ 247.10531 156.5
[M-H]- 223.10881 150.1
[M+NH4]+ 242.14991 164.6
[M+K]+ 263.07925 152.3
[M+H-H2O]+ 207.11335 141.1
[M+HCOO]- 269.11429 167.1
[M+CH3COO]- 283.12994 182.1
[M+Na-2H]- 245.09076 150.5
[M]+ 224.11554 145.8
[M]- 224.11664 145.8
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.