CID 479227

(1's,2'r)-1-[[2-[(1s)-1,2-dihydroxyethyl]cyclopropyl]methyl]thymine

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC1=CN(C(=O)NC1=O)C[C@H]2C[C@H]2[C@@H](CO)O
InChI
InChI=1S/C11H16N2O4/c1-6-3-13(11(17)12-10(6)16)4-7-2-8(7)9(15)5-14/h3,7-9,14-15H,2,4-5H2,1H3,(H,12,16,17)/t7-,8-,9-/m1/s1
InChIKey
MWPPLJMTIPAGSX-IWSPIJDZSA-N
Compound name
1-[[(1S,2R)-2-[(1S)-1,2-dihydroxyethyl]cyclopropyl]methyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.11101 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 155.3
[M+Na]+ 263.100228 166.1
[M-H]- 239.103734 157.1
[M+NH4]+ 258.144833 164.2
[M+K]+ 279.074168 160.0
[M+H-H2O]+ 223.108270 148.3
[M+HCOO]- 285.109211 172.8
[M+CH3COO]- 299.124861 189.4
[M+Na-2H]- 261.085676 157.1
[M]+ 240.11046142 157.9
[M]- 240.11155858 157.9
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.