CID 512157

Schembl7520095

Structural Information

Molecular Formula
C10H14N2O4
SMILES
C1[C@H]([C@@]1(CN2C=CC(=O)NC2=O)CO)CO
InChI
InChI=1S/C10H14N2O4/c13-4-7-3-10(7,6-14)5-12-2-1-8(15)11-9(12)16/h1-2,7,13-14H,3-6H2,(H,11,15,16)/t7-,10-/m0/s1
InChIKey
GNBGMWWIIRFXFM-XVKPBYJWSA-N
Compound name
1-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

226.09535 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 152.6
[M+Na]+ 249.08457 163.9
[M-H]- 225.08807 154.4
[M+NH4]+ 244.12917 163.7
[M+K]+ 265.05851 158.6
[M+H-H2O]+ 209.09261 146.5
[M+HCOO]- 271.09355 170.9
[M+CH3COO]- 285.10920 184.0
[M+Na-2H]- 247.07002 157.7
[M]+ 226.09480 155.5
[M]- 226.09590 155.5
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