CID 57468504

1-(1-bromopropyl)-3-methoxybenzene

Structural Information

Molecular Formula
C10H13BrO
SMILES
CCC(C1=CC(=CC=C1)OC)Br
InChI
InChI=1S/C10H13BrO/c1-3-10(11)8-5-4-6-9(7-8)12-2/h4-7,10H,3H2,1-2H3
InChIKey
XEECGKOBNORGAY-UHFFFAOYSA-N
Compound name
1-(1-bromopropyl)-3-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

228.01498 Da
Monoisotopic Mass

3.8
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

No literature data available for this compound.

Patent stripe

patents stripe