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]+ 207.037896 135.0
[M+Na]+ 229.019838 141.4
[M-H]- 205.023344 140.0
[M+NH4]+ 224.064443 156.7
[M+K]+ 244.993778 135.0
[M+H-H2O]+ 189.027880 136.6
[M+HCOO]- 251.028821 151.3
[M+CH3COO]- 265.044471 181.4
[M+Na-2H]- 227.005286 141.8
[M]+ 206.03007142 145.1
[M]- 206.03116858 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.