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 137.1
[M+Na]+ 243.03550 146.4
[M-H]- 219.03900 143.2
[M+NH4]+ 238.08010 153.6
[M+K]+ 259.00944 139.7
[M+H-H2O]+ 203.04354 133.7
[M+HCOO]- 265.04448 155.0
[M+CH3COO]- 279.06013 190.4
[M+Na-2H]- 241.02095 143.9
[M]+ 220.04573 163.8
[M]- 220.04683 163.8
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.