CID 3051658

67625-09-6

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CN1CCOC1C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H12BrNO/c1-12-5-6-13-10(12)8-3-2-4-9(11)7-8/h2-4,7,10H,5-6H2,1H3
InChIKey
JFEADYOUTRCSKM-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)-3-methyl-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 147.1
[M+Na]+ 263.99944 158.5
[M-H]- 240.00294 155.7
[M+NH4]+ 259.04404 167.7
[M+K]+ 279.97338 149.1
[M+H-H2O]+ 224.00748 146.9
[M+HCOO]- 286.00842 166.5
[M+CH3COO]- 300.02407 162.3
[M+Na-2H]- 261.98489 153.0
[M]+ 241.00967 164.8
[M]- 241.01077 164.8
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.