CID 207147

Brn 0553459

Structural Information

Molecular Formula
C12H14N2O4
SMILES
CC1=CC=CC=C1N2CC(OC2=O)COC(=O)N
InChI
InChI=1S/C12H14N2O4/c1-8-4-2-3-5-10(8)14-6-9(18-12(14)16)7-17-11(13)15/h2-5,9H,6-7H2,1H3,(H2,13,15)
InChIKey
IZCKHQLYTMVQKG-UHFFFAOYSA-N
Compound name
[3-(2-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]+ 251.102626 154.6
[M+Na]+ 273.084568 161.9
[M-H]- 249.088074 160.5
[M+NH4]+ 268.129173 170.3
[M+K]+ 289.058508 161.0
[M+H-H2O]+ 233.092610 147.2
[M+HCOO]- 295.093551 175.9
[M+CH3COO]- 309.109201 194.1
[M+Na-2H]- 271.070016 156.3
[M]+ 250.09480142 155.1
[M]- 250.09589858 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.