CID 638184

Rac-(1r,2r)-2-bromocycloheptan-1-ol, trans

Structural Information

Molecular Formula
C7H13BrO
SMILES
C1CC[C@H]([C@@H](CC1)Br)O
InChI
InChI=1S/C7H13BrO/c8-6-4-2-1-3-5-7(6)9/h6-7,9H,1-5H2/t6-,7-/m1/s1
InChIKey
ZVAKWPYIARQXGC-RNFRBKRXSA-N
Compound name
(1R,2R)-2-bromocycloheptan-1-ol
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]+ 193.02226 130.0
[M+Na]+ 215.00420 130.7
[M+NH4]+ 210.04880 134.9
[M+K]+ 230.97814 132.2
[M-H]- 191.00770 130.2
[M+Na-2H]- 212.98965 132.5
[M]+ 192.01443 129.0
[M]- 192.01553 129.0
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.