CID 113942

64920-93-0

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]+ 218.10230 143.9
[M+Na]+ 240.08424 152.0
[M-H]- 216.08774 144.4
[M+NH4]+ 235.12884 162.5
[M+K]+ 256.05818 151.8
[M+H-H2O]+ 200.09228 139.8
[M+HCOO]- 262.09322 161.4
[M+CH3COO]- 276.10887 182.4
[M+Na-2H]- 238.06969 146.4
[M]+ 217.09447 145.8
[M]- 217.09557 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.