CID 21832707

4-(bromomethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H13BrO
SMILES
C1CC(CCC1CBr)O
InChI
InChI=1S/C7H13BrO/c8-5-6-1-3-7(9)4-2-6/h6-7,9H,1-5H2
InChIKey
ONPOTKLFNVQDGA-UHFFFAOYSA-N
Compound name
4-(bromomethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

192.01498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 136.7
[M+Na]+ 215.004198 145.6
[M-H]- 191.007704 141.0
[M+NH4]+ 210.048803 159.0
[M+K]+ 230.978138 135.2
[M+H-H2O]+ 175.012240 137.5
[M+HCOO]- 237.013181 153.9
[M+CH3COO]- 251.028831 177.8
[M+Na-2H]- 212.989646 142.6
[M]+ 192.01443142 150.2
[M]- 192.01552858 150.2
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

patents stripe