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]+ 219.07430 139.3
[M+Na]+ 241.05624 148.5
[M-H]- 217.05974 145.4
[M+NH4]+ 236.10084 156.0
[M+K]+ 257.03018 141.1
[M+H-H2O]+ 201.06428 136.0
[M+HCOO]- 263.06522 156.7
[M+CH3COO]- 277.08087 191.4
[M+Na-2H]- 239.04169 145.6
[M]+ 218.06647 165.1
[M]- 218.06757 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.