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

1
Patents

171.08954 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 135.9
[M+Na]+ 194.07876 140.7
[M-H]- 170.08226 140.1
[M+NH4]+ 189.12336 152.7
[M+K]+ 210.05270 141.2
[M+H-H2O]+ 154.08680 129.6
[M+HCOO]- 216.08774 151.9
[M+CH3COO]- 230.10339 172.4
[M+Na-2H]- 192.06421 140.1
[M]+ 171.08899 130.4
[M]- 171.09009 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