CID 59382337

1-(bromomethyl)-3-(3-methoxypropyl)benzene

Structural Information

Molecular Formula
C11H15BrO
SMILES
COCCCC1=CC(=CC=C1)CBr
InChI
InChI=1S/C11H15BrO/c1-13-7-3-6-10-4-2-5-11(8-10)9-12/h2,4-5,8H,3,6-7,9H2,1H3
InChIKey
ULZBZXPPLJOVQO-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-(3-methoxypropyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

242.03062 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03790 147.0
[M+Na]+ 265.01984 157.7
[M-H]- 241.02334 153.0
[M+NH4]+ 260.06444 168.4
[M+K]+ 280.99378 146.8
[M+H-H2O]+ 225.02788 147.0
[M+HCOO]- 287.02882 168.6
[M+CH3COO]- 301.04447 190.6
[M+Na-2H]- 263.00529 154.3
[M]+ 242.03007 167.9
[M]- 242.03117 167.9
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