CID 145874667

1-bromo-3-cyclobutylcyclobutane

Structural Information

Molecular Formula
C8H13Br
SMILES
C1CC(C1)C2CC(C2)Br
InChI
InChI=1S/C8H13Br/c9-8-4-7(5-8)6-2-1-3-6/h6-8H,1-5H2
InChIKey
IYYCGEBVELOASD-UHFFFAOYSA-N
Compound name
1-bromo-3-cyclobutylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.02007 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02735 112.7
[M+Na]+ 211.00929 120.4
[M-H]- 187.01279 121.0
[M+NH4]+ 206.05389 123.4
[M+K]+ 226.98323 116.9
[M+H-H2O]+ 171.01733 105.5
[M+HCOO]- 233.01827 130.0
[M+CH3COO]- 247.03392 193.5
[M+Na-2H]- 208.99474 120.2
[M]+ 188.01952 141.6
[M]- 188.02062 141.6
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.