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]+ 179.006606 132.1
[M+Na]+ 200.988548 141.4
[M-H]- 176.992054 136.6
[M+NH4]+ 196.033153 154.9
[M+K]+ 216.962488 131.3
[M+H-H2O]+ 160.996590 133.1
[M+HCOO]- 222.997531 149.6
[M+CH3COO]- 237.013181 175.0
[M+Na-2H]- 198.973996 138.5
[M]+ 177.99878142 145.3
[M]- 177.99987858 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

literature stripe

Patent stripe

No patent data available for this compound.