CID 85481

16536-57-5

Structural Information

Molecular Formula
C6H11BrO
SMILES
C1CC[C@H]([C@H](C1)O)Br
InChI
InChI=1S/C6H11BrO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChIKey
AAMCLCZHZXKWRV-RITPCOANSA-N
Compound name
cis-(1S,2R)-2-bromocyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

177.99933 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00661 132.1
[M+Na]+ 200.98855 141.4
[M-H]- 176.99205 136.6
[M+NH4]+ 196.03315 154.9
[M+K]+ 216.96249 131.3
[M+H-H2O]+ 160.99659 133.1
[M+HCOO]- 222.99753 149.6
[M+CH3COO]- 237.01318 175.0
[M+Na-2H]- 198.97400 138.5
[M]+ 177.99878 145.3
[M]- 177.99988 145.3
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.