CID 207146

Brn 0549556

Structural Information

Molecular Formula
C12H14N2O4
SMILES
CC1=CC(=CC=C1)N2CC(OC2=O)COC(=O)N
InChI
InChI=1S/C12H14N2O4/c1-8-3-2-4-9(5-8)14-6-10(18-12(14)16)7-17-11(13)15/h2-5,10H,6-7H2,1H3,(H2,13,15)
InChIKey
QWTASGPQMJHAPR-UHFFFAOYSA-N
Compound name
[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10263 154.6
[M+Na]+ 273.08457 161.9
[M-H]- 249.08807 160.5
[M+NH4]+ 268.12917 170.3
[M+K]+ 289.05851 161.0
[M+H-H2O]+ 233.09261 147.2
[M+HCOO]- 295.09355 175.9
[M+CH3COO]- 309.10920 194.1
[M+Na-2H]- 271.07002 156.3
[M]+ 250.09480 155.1
[M]- 250.09590 155.1
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.