CID 125452674

(1s,3s)-1-(bromomethyl)-3-(tert-butoxy)cyclobutane

Structural Information

Molecular Formula
C9H17BrO
SMILES
CC(C)(C)OC1CC(C1)CBr
InChI
InChI=1S/C9H17BrO/c1-9(2,3)11-8-4-7(5-8)6-10/h7-8H,4-6H2,1-3H3
InChIKey
JGOAYDOOCRZIFD-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04628 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05356 142.7
[M+Na]+ 243.03550 140.7
[M+NH4]+ 238.08010 144.3
[M+K]+ 259.00944 142.7
[M-H]- 219.03900 140.0
[M+Na-2H]- 241.02095 142.3
[M]+ 220.04573 139.5
[M]- 220.04683 139.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.