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]+ 191.042976 129.8
[M+Na]+ 213.024918 139.8
[M-H]- 189.028424 136.3
[M+NH4]+ 208.069523 147.6
[M+K]+ 228.998858 132.9
[M+H-H2O]+ 173.032960 127.0
[M+HCOO]- 235.033901 147.9
[M+CH3COO]- 249.049551 185.9
[M+Na-2H]- 211.010366 137.2
[M]+ 190.03515142 155.0
[M]- 190.03624858 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.