CID 11849715

(+/-)-(2s,4s)-1-(hydroxymethyl-4-vinyl-tetrahydro-furan-2yl) uracil

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C=C[C@@]1(C[C@H](OC1)N2C=CC(=O)NC2=O)CO
InChI
InChI=1S/C11H14N2O4/c1-2-11(6-14)5-9(17-7-11)13-4-3-8(15)12-10(13)16/h2-4,9,14H,1,5-7H2,(H,12,15,16)/t9-,11+/m0/s1
InChIKey
RFUFVCHFTHRYGW-GXSJLCMTSA-N
Compound name
1-[(2S,4S)-4-ethenyl-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.09535 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 149.0
[M+Na]+ 261.084568 158.3
[M-H]- 237.088074 151.7
[M+NH4]+ 256.129173 165.2
[M+K]+ 277.058508 155.2
[M+H-H2O]+ 221.092610 142.5
[M+HCOO]- 283.093551 167.1
[M+CH3COO]- 297.109201 183.2
[M+Na-2H]- 259.070016 153.2
[M]+ 238.09480142 148.1
[M]- 238.09589858 148.1
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.