CID 21706529

1-(bromomethyl)-4-methoxycyclohexane

Structural Information

Molecular Formula
C8H15BrO
SMILES
COC1CCC(CC1)CBr
InChI
InChI=1S/C8H15BrO/c1-10-8-4-2-7(6-9)3-5-8/h7-8H,2-6H2,1H3
InChIKey
UCOPXSOJPYCLOB-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-methoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

206.03062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03790 138.7
[M+Na]+ 229.01984 140.7
[M+NH4]+ 224.06444 144.4
[M+K]+ 244.99378 140.2
[M-H]- 205.02334 139.6
[M+Na-2H]- 227.00529 141.1
[M]+ 206.03007 138.0
[M]- 206.03117 138.0
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