CID 3049199

64589-81-7

Structural Information

Molecular Formula
C12H15NO3
SMILES
CC1=C(C=C(C=C1)N2CC(OC2=O)CO)C
InChI
InChI=1S/C12H15NO3/c1-8-3-4-10(5-9(8)2)13-6-11(7-14)16-12(13)15/h3-5,11,14H,6-7H2,1-2H3
InChIKey
SBVBZBBCTIRPNS-UHFFFAOYSA-N
Compound name
3-(3,4-dimethylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 147.8
[M+Na]+ 244.09442 156.7
[M-H]- 220.09792 153.2
[M+NH4]+ 239.13902 165.2
[M+K]+ 260.06836 154.9
[M+H-H2O]+ 204.10246 141.5
[M+HCOO]- 266.10340 167.9
[M+CH3COO]- 280.11905 186.7
[M+Na-2H]- 242.07987 150.1
[M]+ 221.10465 148.7
[M]- 221.10575 148.7
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.