CID 19688454

Methyl 4-(bromomethyl)cyclohexanecarboxylate

Structural Information

Molecular Formula
C9H15BrO2
SMILES
COC(=O)C1CCC(CC1)CBr
InChI
InChI=1S/C9H15BrO2/c1-12-9(11)8-4-2-7(6-10)3-5-8/h7-8H,2-6H2,1H3
InChIKey
BXJXDCCSZTVLTR-UHFFFAOYSA-N
Compound name
methyl 4-(bromomethyl)cyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

234.02554 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03282 144.0
[M+Na]+ 257.01476 145.1
[M+NH4]+ 252.05936 148.7
[M+K]+ 272.98870 145.6
[M-H]- 233.01826 143.9
[M+Na-2H]- 255.00021 145.4
[M]+ 234.02499 142.7
[M]- 234.02609 142.7
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