CID 65002549

1-(bromomethyl)-1-(methoxymethyl)cyclohexane

Structural Information

Molecular Formula
C9H17BrO
SMILES
COCC1(CCCCC1)CBr
InChI
InChI=1S/C9H17BrO/c1-11-8-9(7-10)5-3-2-4-6-9/h2-8H2,1H3
InChIKey
KGBDZGFLUUKHOO-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(methoxymethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04628 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05356 143.7
[M+Na]+ 243.03550 152.3
[M-H]- 219.03900 149.1
[M+NH4]+ 238.08010 167.4
[M+K]+ 259.00944 142.7
[M+H-H2O]+ 203.04354 144.9
[M+HCOO]- 265.04448 161.9
[M+CH3COO]- 279.06013 184.6
[M+Na-2H]- 241.02095 150.9
[M]+ 220.04573 160.0
[M]- 220.04683 160.0
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

No patent data available for this compound.