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

5
Patents

258.02554 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03282 150.1
[M+Na]+ 281.01476 161.0
[M-H]- 257.01826 155.0
[M+NH4]+ 276.05936 170.4
[M+K]+ 296.98870 149.6
[M+H-H2O]+ 241.02280 150.0
[M+HCOO]- 303.02374 170.3
[M+CH3COO]- 317.03939 191.0
[M+Na-2H]- 279.00021 156.2
[M]+ 258.02499 170.8
[M]- 258.02609 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