CID 115729

64047-05-8

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCCCC1(C(=O)NC(=O)O1)C
InChI
InChI=1S/C8H13NO3/c1-3-4-5-8(2)6(10)9-7(11)12-8/h3-5H2,1-2H3,(H,9,10,11)
InChIKey
CUCOSIIJLLJQIC-UHFFFAOYSA-N
Compound name
5-butyl-5-methyl-1,3-oxazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.08954 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 133.9
[M+Na]+ 194.078758 142.4
[M-H]- 170.082264 135.6
[M+NH4]+ 189.123363 155.0
[M+K]+ 210.052698 141.8
[M+H-H2O]+ 154.086800 129.5
[M+HCOO]- 216.087741 153.9
[M+CH3COO]- 230.103391 175.3
[M+Na-2H]- 192.064206 138.9
[M]+ 171.08899142 134.5
[M]- 171.09008858 134.5
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

patents stripe