CID 62113513

1-(2-bromo-1-methoxyethyl)-3-methylbenzene

Structural Information

Molecular Formula
C10H13BrO
SMILES
CC1=CC(=CC=C1)C(CBr)OC
InChI
InChI=1S/C10H13BrO/c1-8-4-3-5-9(6-8)10(7-11)12-2/h3-6,10H,7H2,1-2H3
InChIKey
UKGQZFFAWPMXGZ-UHFFFAOYSA-N
Compound name
1-(2-bromo-1-methoxyethyl)-3-methylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.01498 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 143.0
[M+Na]+ 251.00420 153.8
[M-H]- 227.00770 149.2
[M+NH4]+ 246.04880 164.9
[M+K]+ 266.97814 143.6
[M+H-H2O]+ 211.01224 143.2
[M+HCOO]- 273.01318 163.9
[M+CH3COO]- 287.02883 188.6
[M+Na-2H]- 248.98965 149.6
[M]+ 228.01443 162.9
[M]- 228.01553 162.9
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.