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 129.8
[M+Na]+ 213.02492 139.8
[M-H]- 189.02842 136.3
[M+NH4]+ 208.06952 147.6
[M+K]+ 228.99886 132.9
[M+H-H2O]+ 173.03296 127.0
[M+HCOO]- 235.03390 147.9
[M+CH3COO]- 249.04955 185.9
[M+Na-2H]- 211.01037 137.2
[M]+ 190.03515 155.0
[M]- 190.03625 155.0
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.