CID 451902

C-d4t

Structural Information

Molecular Formula
C11H14N2O3
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H](C=C2)CO
InChI
InChI=1S/C11H14N2O3/c1-7-5-13(11(16)12-10(7)15)9-3-2-8(4-9)6-14/h2-3,5,8-9,14H,4,6H2,1H3,(H,12,15,16)/t8-,9+/m1/s1
InChIKey
XKLCOAHIDXDOAE-BDAKNGLRSA-N
Compound name
1-[(1R,4S)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.10045 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.107726 146.7
[M+Na]+ 245.089668 156.7
[M-H]- 221.093174 149.2
[M+NH4]+ 240.134273 163.3
[M+K]+ 261.063608 152.3
[M+H-H2O]+ 205.097710 139.7
[M+HCOO]- 267.098651 166.8
[M+CH3COO]- 281.114301 183.0
[M+Na-2H]- 243.075116 149.0
[M]+ 222.09990142 145.9
[M]- 222.10099858 145.9
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.