CID 65585153

5-(oxan-4-yl)-1,3-oxazolidin-2-one

Structural Information

Molecular Formula
C8H13NO3
SMILES
C1COCCC1C2CNC(=O)O2
InChI
InChI=1S/C8H13NO3/c10-8-9-5-7(12-8)6-1-3-11-4-2-6/h6-7H,1-5H2,(H,9,10)
InChIKey
JNCMDCLHYHAJBP-UHFFFAOYSA-N
Compound name
5-(oxan-4-yl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

171.08954 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 135.9
[M+Na]+ 194.078758 140.7
[M-H]- 170.082264 140.1
[M+NH4]+ 189.123363 152.7
[M+K]+ 210.052698 141.2
[M+H-H2O]+ 154.086800 129.6
[M+HCOO]- 216.087741 151.9
[M+CH3COO]- 230.103391 172.4
[M+Na-2H]- 192.064206 140.1
[M]+ 171.08899142 130.4
[M]- 171.09008858 130.4
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