CID 155858626

2580227-93-4

Structural Information

Molecular Formula
C10H19Br
SMILES
CC(C)(C)CC1CC(C1)CBr
InChI
InChI=1S/C10H19Br/c1-10(2,3)6-8-4-9(5-8)7-11/h8-9H,4-7H2,1-3H3
InChIKey
CBSMTSHWEBIOKL-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-(2,2-dimethylpropyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.06702 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.074296 139.3
[M+Na]+ 241.056238 148.5
[M-H]- 217.059744 145.4
[M+NH4]+ 236.100843 156.0
[M+K]+ 257.030178 141.1
[M+H-H2O]+ 201.064280 136.0
[M+HCOO]- 263.065221 156.7
[M+CH3COO]- 277.080871 191.4
[M+Na-2H]- 239.041686 145.6
[M]+ 218.06647142 165.1
[M]- 218.06756858 165.1
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.