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]+ 189.027346 112.7
[M+Na]+ 211.009288 120.4
[M-H]- 187.012794 121.0
[M+NH4]+ 206.053893 123.4
[M+K]+ 226.983228 116.9
[M+H-H2O]+ 171.017330 105.5
[M+HCOO]- 233.018271 130.0
[M+CH3COO]- 247.033921 193.5
[M+Na-2H]- 208.994736 120.2
[M]+ 188.01952142 141.6
[M]- 188.02061858 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.