CID 12803290

Acq2hmx3p6

Structural Information

Molecular Formula
C8H12N2O4
SMILES
CC1=CN(C(=O)NC1=O)C[C@@H](CO)O
InChI
InChI=1S/C8H12N2O4/c1-5-2-10(3-6(12)4-11)8(14)9-7(5)13/h2,6,11-12H,3-4H2,1H3,(H,9,13,14)/t6-/m0/s1
InChIKey
ICMFGTQEVBJAIG-LURJTMIESA-N
Compound name
1-[(2S)-2,3-dihydroxypropyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

200.07971 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08699 140.3
[M+Na]+ 223.06893 149.7
[M-H]- 199.07243 138.1
[M+NH4]+ 218.11353 155.2
[M+K]+ 239.04287 146.5
[M+H-H2O]+ 183.07697 133.9
[M+HCOO]- 245.07791 158.2
[M+CH3COO]- 259.09356 177.4
[M+Na-2H]- 221.05438 144.1
[M]+ 200.07916 140.1
[M]- 200.08026 140.1
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