CID 66717816

[2-bromo-5-(3-methoxypropyl)phenyl]methanol

Structural Information

Molecular Formula
C11H15BrO2
SMILES
COCCCC1=CC(=C(C=C1)Br)CO
InChI
InChI=1S/C11H15BrO2/c1-14-6-2-3-9-4-5-11(12)10(7-9)8-13/h4-5,7,13H,2-3,6,8H2,1H3
InChIKey
IANVFYZLMZYHSK-UHFFFAOYSA-N
Compound name
[2-bromo-5-(3-methoxypropyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

258.02554 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.032816 150.1
[M+Na]+ 281.014758 161.0
[M-H]- 257.018264 155.0
[M+NH4]+ 276.059363 170.4
[M+K]+ 296.988698 149.6
[M+H-H2O]+ 241.022800 150.0
[M+HCOO]- 303.023741 170.3
[M+CH3COO]- 317.039391 191.0
[M+Na-2H]- 279.000206 156.2
[M]+ 258.02499142 170.8
[M]- 258.02608858 170.8
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