CID 85560073

1-bromo-3-tert-butylcyclobutane

Structural Information

Molecular Formula
C8H15Br
SMILES
CC(C)(C)C1CC(C1)Br
InChI
InChI=1S/C8H15Br/c1-8(2,3)6-4-7(9)5-6/h6-7H,4-5H2,1-3H3
InChIKey
LDNGRQQSGXOABJ-UHFFFAOYSA-N
Compound name
1-bromo-3-tert-butylcyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.0357 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04298 134.8
[M+Na]+ 213.02492 133.3
[M+NH4]+ 208.06952 137.0
[M+K]+ 228.99886 135.2
[M-H]- 189.02842 132.6
[M+Na-2H]- 211.01037 135.2
[M]+ 190.03515 131.9
[M]- 190.03625 131.9
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.