CID 113942

63834-80-0

Structural Information

Molecular Formula
C9H15NO5
SMILES
CC1(C(=O)N(C(=O)O1)CCC(CO)O)C
InChI
InChI=1S/C9H15NO5/c1-9(2)7(13)10(8(14)15-9)4-3-6(12)5-11/h6,11-12H,3-5H2,1-2H3
InChIKey
NWGINJFMAHGUNS-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxybutyl)-5,5-dimethyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.09502 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.102296 143.9
[M+Na]+ 240.084238 152.0
[M-H]- 216.087744 144.4
[M+NH4]+ 235.128843 162.5
[M+K]+ 256.058178 151.8
[M+H-H2O]+ 200.092280 139.8
[M+HCOO]- 262.093221 161.4
[M+CH3COO]- 276.108871 182.4
[M+Na-2H]- 238.069686 146.4
[M]+ 217.09447142 145.8
[M]- 217.09556858 145.8
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.