CID 452030

3'-me-d4t

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1=C[C@@H](O[C@@H]1CO)N2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C11H14N2O4/c1-6-3-9(17-8(6)5-14)13-4-7(2)10(15)12-11(13)16/h3-4,8-9,14H,5H2,1-2H3,(H,12,15,16)/t8-,9-/m1/s1
InChIKey
UKWIQYGDBFCZEG-RKDXNWHRSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-4-methyl-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.09535 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 149.9
[M+Na]+ 261.084568 160.8
[M-H]- 237.088074 153.4
[M+NH4]+ 256.129173 164.8
[M+K]+ 277.058508 157.8
[M+H-H2O]+ 221.092610 143.1
[M+HCOO]- 283.093551 169.2
[M+CH3COO]- 297.109201 186.7
[M+Na-2H]- 259.070016 152.2
[M]+ 238.09480142 151.6
[M]- 238.09589858 151.6
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

patents stripe