CID 12460926

Rac-(1r,2r)-1-bromo-2-methoxycyclohexane

Structural Information

Molecular Formula
C7H13BrO
SMILES
CO[C@@H]1CCCC[C@H]1Br
InChI
InChI=1S/C7H13BrO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKey
DGMAOHYUXAZIFR-RNFRBKRXSA-N
Compound name
trans-(1R,2R)-1-bromo-2-methoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.01498 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 135.5
[M+Na]+ 215.004198 144.9
[M-H]- 191.007704 141.2
[M+NH4]+ 210.048803 158.6
[M+K]+ 230.978138 135.5
[M+H-H2O]+ 175.012240 136.3
[M+HCOO]- 237.013181 154.2
[M+CH3COO]- 251.028831 180.3
[M+Na-2H]- 212.989646 142.0
[M]+ 192.01443142 150.9
[M]- 192.01552858 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.