CID 61531714

1-bromo-3-[(2-methylpropoxy)methyl]benzene

Structural Information

Molecular Formula
C11H15BrO
SMILES
CC(C)COCC1=CC(=CC=C1)Br
InChI
InChI=1S/C11H15BrO/c1-9(2)7-13-8-10-4-3-5-11(12)6-10/h3-6,9H,7-8H2,1-2H3
InChIKey
XNJGKDCOPSEZSH-UHFFFAOYSA-N
Compound name
1-bromo-3-(2-methylpropoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03062 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03790 147.7
[M+Na]+ 265.01984 158.1
[M-H]- 241.02334 153.8
[M+NH4]+ 260.06444 169.1
[M+K]+ 280.99378 147.6
[M+H-H2O]+ 225.02788 147.7
[M+HCOO]- 287.02882 168.3
[M+CH3COO]- 301.04447 191.4
[M+Na-2H]- 263.00529 153.8
[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

No patent data available for this compound.