CID 300684

1-(bromomethyl)cyclohexan-1-ol

Structural Information

Molecular Formula
C7H13BrO
SMILES
C1CCC(CC1)(CBr)O
InChI
InChI=1S/C7H13BrO/c8-6-7(9)4-2-1-3-5-7/h9H,1-6H2
InChIKey
SSULDURTLPHCSZ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

192.01498 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.022256 135.9
[M+Na]+ 215.004198 144.8
[M-H]- 191.007704 140.3
[M+NH4]+ 210.048803 159.9
[M+K]+ 230.978138 134.7
[M+H-H2O]+ 175.012240 137.6
[M+HCOO]- 237.013181 153.2
[M+CH3COO]- 251.028831 176.4
[M+Na-2H]- 212.989646 143.6
[M]+ 192.01443142 149.6
[M]- 192.01552858 149.6
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

patents stripe