CID 3002880

Schembl8629353

Structural Information

Molecular Formula
C11H14N2O4
SMILES
C1[C@@H]([C@H]2C[C@]2([C@H]1O)CO)N3C=CC(=O)NC3=O
InChI
InChI=1S/C11H14N2O4/c14-5-11-4-6(11)7(3-8(11)15)13-2-1-9(16)12-10(13)17/h1-2,6-8,14-15H,3-5H2,(H,12,16,17)/t6-,7+,8+,11+/m1/s1
InChIKey
XUORZQLPFYEVFJ-GLLZPBPUSA-N
Compound name
1-[(1S,2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

238.09535 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 154.3
[M+Na]+ 261.08457 166.4
[M-H]- 237.08807 157.1
[M+NH4]+ 256.12917 167.8
[M+K]+ 277.05851 160.3
[M+H-H2O]+ 221.09261 149.2
[M+HCOO]- 283.09355 171.1
[M+CH3COO]- 297.10920 186.2
[M+Na-2H]- 259.07002 158.1
[M]+ 238.09480 156.3
[M]- 238.09590 156.3
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

No patent data available for this compound.