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]+ 241.11829 155.3
[M+Na]+ 263.10023 166.1
[M-H]- 239.10373 157.1
[M+NH4]+ 258.14483 164.2
[M+K]+ 279.07417 160.0
[M+H-H2O]+ 223.10827 148.3
[M+HCOO]- 285.10921 172.8
[M+CH3COO]- 299.12486 189.4
[M+Na-2H]- 261.08568 157.1
[M]+ 240.11046 157.9
[M]- 240.11156 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.