CID 6473737

126261-64-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

240.11101 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 153.1
[M+Na]+ 263.10023 160.9
[M-H]- 239.10373 153.7
[M+NH4]+ 258.14483 160.2
[M+K]+ 279.07417 159.9
[M+H-H2O]+ 223.10827 140.5
[M+HCOO]- 285.10921 168.9
[M+CH3COO]- 299.12486 189.7
[M+Na-2H]- 261.08568 154.3
[M]+ 240.11046 161.0
[M]- 240.11156 161.0
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

patents stripe