CID 116225840

(3-bromo-2-methylpropyl)cyclobutane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC(CC1CCC1)CBr
InChI
InChI=1S/C8H15Br/c1-7(6-9)5-8-3-2-4-8/h7-8H,2-6H2,1H3
InChIKey
XQVRPIIFFCJLNE-UHFFFAOYSA-N
Compound name
(3-bromo-2-methylpropyl)cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042976 130.8
[M+Na]+ 213.024918 139.1
[M-H]- 189.028424 136.6
[M+NH4]+ 208.069523 148.0
[M+K]+ 228.998858 132.3
[M+H-H2O]+ 173.032960 127.0
[M+HCOO]- 235.033901 149.3
[M+CH3COO]- 249.049551 186.0
[M+Na-2H]- 211.010366 137.0
[M]+ 190.03515142 155.4
[M]- 190.03624858 155.4
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.