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]+ 221.053556 143.7
[M+Na]+ 243.035498 152.3
[M-H]- 219.039004 149.1
[M+NH4]+ 238.080103 167.4
[M+K]+ 259.009438 142.7
[M+H-H2O]+ 203.043540 144.9
[M+HCOO]- 265.044481 161.9
[M+CH3COO]- 279.060131 184.6
[M+Na-2H]- 241.020946 150.9
[M]+ 220.04573142 160.0
[M]- 220.04682858 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.