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]+ 239.10263 149.0
[M+Na]+ 261.08457 158.3
[M-H]- 237.08807 151.7
[M+NH4]+ 256.12917 165.2
[M+K]+ 277.05851 155.2
[M+H-H2O]+ 221.09261 142.5
[M+HCOO]- 283.09355 167.1
[M+CH3COO]- 297.10920 183.2
[M+Na-2H]- 259.07002 153.2
[M]+ 238.09480 148.1
[M]- 238.09590 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.