CID 114775216

1-(bromomethyl)cycloheptan-1-ol

Structural Information

Molecular Formula
C8H15BrO
SMILES
C1CCCC(CC1)(CBr)O
InChI
InChI=1S/C8H15BrO/c9-7-8(10)5-3-1-2-4-6-8/h10H,1-7H2
InChIKey
XUDJONXKNNICQZ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)cycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 134.1
[M+Na]+ 229.01984 134.4
[M+NH4]+ 224.06444 140.1
[M+K]+ 244.99378 134.4
[M-H]- 205.02334 134.3
[M+Na-2H]- 227.00529 137.8
[M]+ 206.03007 133.2
[M]- 206.03117 133.2
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.