CID 65007317

1-{[1-(bromomethyl)cyclobutyl]methoxy}-3-(methoxymethyl)benzene

Structural Information

Molecular Formula
C14H19BrO2
SMILES
COCC1=CC(=CC=C1)OCC2(CCC2)CBr
InChI
InChI=1S/C14H19BrO2/c1-16-9-12-4-2-5-13(8-12)17-11-14(10-15)6-3-7-14/h2,4-5,8H,3,6-7,9-11H2,1H3
InChIKey
GSWMUTOXRHHQMY-UHFFFAOYSA-N
Compound name
1-[[1-(bromomethyl)cyclobutyl]methoxy]-3-(methoxymethyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.05685 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06413 152.0
[M+Na]+ 321.04607 160.6
[M-H]- 297.04957 160.6
[M+NH4]+ 316.09067 166.9
[M+K]+ 337.02001 153.2
[M+H-H2O]+ 281.05411 147.7
[M+HCOO]- 343.05505 171.5
[M+CH3COO]- 357.07070 201.4
[M+Na-2H]- 319.03152 159.1
[M]+ 298.05630 180.5
[M]- 298.05740 180.5
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.