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

47
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 140.1
[M+Na]+ 229.01984 149.1
[M-H]- 205.02334 145.6
[M+NH4]+ 224.06444 162.7
[M+K]+ 244.99378 139.5
[M+H-H2O]+ 189.02788 140.7
[M+HCOO]- 251.02882 158.5
[M+CH3COO]- 265.04447 183.2
[M+Na-2H]- 227.00529 146.1
[M]+ 206.03007 155.9
[M]- 206.03117 155.9
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