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 135.0
[M+Na]+ 229.01984 141.4
[M-H]- 205.02334 140.0
[M+NH4]+ 224.06444 156.7
[M+K]+ 244.99378 135.0
[M+H-H2O]+ 189.02788 136.6
[M+HCOO]- 251.02882 151.3
[M+CH3COO]- 265.04447 181.4
[M+Na-2H]- 227.00529 141.8
[M]+ 206.03007 145.1
[M]- 206.03117 145.1
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.