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]+ 223.10773 146.7
[M+Na]+ 245.08967 156.7
[M-H]- 221.09317 149.2
[M+NH4]+ 240.13427 163.3
[M+K]+ 261.06361 152.3
[M+H-H2O]+ 205.09771 139.7
[M+HCOO]- 267.09865 166.8
[M+CH3COO]- 281.11430 183.0
[M+Na-2H]- 243.07512 149.0
[M]+ 222.09990 145.9
[M]- 222.10100 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.