CID 206120

42902-34-1

Structural Information

Molecular Formula
C11H12BrNO4
SMILES
COC1=C(C=C(C=C1)N2CC(OC2=O)CO)Br
InChI
InChI=1S/C11H12BrNO4/c1-16-10-3-2-7(4-9(10)12)13-5-8(6-14)17-11(13)15/h2-4,8,14H,5-6H2,1H3
InChIKey
XFDODDAHQLQCMF-UHFFFAOYSA-N
Compound name
3-(3-bromo-4-methoxyphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.99496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.00224 158.0
[M+Na]+ 323.98418 169.8
[M-H]- 299.98768 165.7
[M+NH4]+ 319.02878 175.7
[M+K]+ 339.95812 160.2
[M+H-H2O]+ 283.99222 157.5
[M+HCOO]- 345.99316 176.2
[M+CH3COO]- 360.00881 195.5
[M+Na-2H]- 321.96963 161.8
[M]+ 300.99441 178.3
[M]- 300.99551 178.3
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.