CID 65010055

1-(bromomethyl)-1-(methoxymethyl)cycloheptane

Structural Information

Molecular Formula
C10H19BrO
SMILES
COCC1(CCCCCC1)CBr
InChI
InChI=1S/C10H19BrO/c1-12-9-10(8-11)6-4-2-3-5-7-10/h2-9H2,1H3
InChIKey
CMSMJGCFPBOYRW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(methoxymethyl)cycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.06194 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06922 142.5
[M+Na]+ 257.05116 148.7
[M-H]- 233.05466 148.5
[M+NH4]+ 252.09576 163.9
[M+K]+ 273.02510 142.6
[M+H-H2O]+ 217.05920 143.7
[M+HCOO]- 279.06014 159.6
[M+CH3COO]- 293.07579 189.1
[M+Na-2H]- 255.03661 148.8
[M]+ 234.06139 155.0
[M]- 234.06249 155.0
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.