CID 12636417

2230800-14-1

Structural Information

Molecular Formula
C8H15BrO
SMILES
CC(C)O[C@@H]1CCC[C@H]1Br
InChI
InChI=1S/C8H15BrO/c1-6(2)10-8-5-3-4-7(8)9/h6-8H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKey
LHKYTKOMTZFCMT-HTQZYQBOSA-N
Compound name
(1R,2R)-1-bromo-2-propan-2-yloxycyclopentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03062 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 144.1
[M+Na]+ 229.01984 154.0
[M-H]- 205.02334 150.0
[M+NH4]+ 224.06444 168.4
[M+K]+ 244.99378 144.6
[M+H-H2O]+ 189.02788 144.8
[M+HCOO]- 251.02882 163.6
[M+CH3COO]- 265.04447 183.7
[M+Na-2H]- 227.00529 147.5
[M]+ 206.03007 161.1
[M]- 206.03117 161.1
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.