CID 63017806

1-(2-bromopropyl)-4-methoxybenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

228.01498 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.022256 143.0
[M+Na]+ 251.004198 153.8
[M-H]- 227.007704 149.2
[M+NH4]+ 246.048803 164.9
[M+K]+ 266.978138 143.6
[M+H-H2O]+ 211.012240 143.2
[M+HCOO]- 273.013181 163.9
[M+CH3COO]- 287.028831 188.6
[M+Na-2H]- 248.989646 149.6
[M]+ 228.01443142 162.9
[M]- 228.01552858 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

literature stripe

Patent stripe

patents stripe