CID 255287

1-(3-bromopropyl)-2-methoxybenzene

Structural Information

Molecular Formula
C10H13BrO
SMILES
COC1=CC=CC=C1CCCBr
InChI
InChI=1S/C10H13BrO/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-3,5,7H,4,6,8H2,1H3
InChIKey
OMTJHFBMYNREKV-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-2-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

228.01498 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 142.3
[M+Na]+ 251.00420 153.4
[M-H]- 227.00770 148.5
[M+NH4]+ 246.04880 164.3
[M+K]+ 266.97814 142.8
[M+H-H2O]+ 211.01224 142.5
[M+HCOO]- 273.01318 164.2
[M+CH3COO]- 287.02883 187.8
[M+Na-2H]- 248.98965 150.2
[M]+ 228.01443 162.8
[M]- 228.01553 162.8
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