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
trans-(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]+ 207.037896 144.1
[M+Na]+ 229.019838 154.0
[M-H]- 205.023344 150.0
[M+NH4]+ 224.064443 168.4
[M+K]+ 244.993778 144.6
[M+H-H2O]+ 189.027880 144.8
[M+HCOO]- 251.028821 163.6
[M+CH3COO]- 265.044471 183.7
[M+Na-2H]- 227.005286 147.5
[M]+ 206.03007142 161.1
[M]- 206.03116858 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.