CID 472611

1-[(1s,2s,4s)-4,5-bis(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C12H16N2O4
SMILES
C1[C@@H](C2(C[C@@H]2[C@H]1N3C=CC(=O)NC3=O)CO)CO
InChI
InChI=1S/C12H16N2O4/c15-5-7-3-9(8-4-12(7,8)6-16)14-2-1-10(17)13-11(14)18/h1-2,7-9,15-16H,3-6H2,(H,13,17,18)/t7-,8-,9+,12?/m1/s1
InChIKey
MMCRJFWQEXDQHQ-PDBLZVRPSA-N
Compound name
1-[(1S,2S,4S)-4,5-bis(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11101 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.118286 158.4
[M+Na]+ 275.100228 170.0
[M-H]- 251.103734 160.9
[M+NH4]+ 270.144833 171.2
[M+K]+ 291.074168 163.7
[M+H-H2O]+ 235.108270 153.0
[M+HCOO]- 297.109211 174.8
[M+CH3COO]- 311.124861 189.0
[M+Na-2H]- 273.085676 161.6
[M]+ 252.11046142 160.6
[M]- 252.11155858 160.6
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.