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

4
Patents

228.01498 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 140.7
[M+Na]+ 251.00420 144.5
[M+NH4]+ 246.04880 146.2
[M+K]+ 266.97814 143.9
[M-H]- 227.00770 141.8
[M+Na-2H]- 248.98965 144.9
[M]+ 228.01443 140.5
[M]- 228.01553 140.5
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