CID 62113507

1-(bromomethyl)-1-methoxycyclohexane

Structural Information

Molecular Formula
C8H15BrO
SMILES
COC1(CCCCC1)CBr
InChI
InChI=1S/C8H15BrO/c1-10-8(7-9)5-3-2-4-6-8/h2-7H2,1H3
InChIKey
QZEDTANNGGHAKC-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-methoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.037896 139.2
[M+Na]+ 229.019838 148.2
[M-H]- 205.023344 144.8
[M+NH4]+ 224.064443 163.4
[M+K]+ 244.993778 138.8
[M+H-H2O]+ 189.027880 140.6
[M+HCOO]- 251.028821 157.7
[M+CH3COO]- 265.044471 181.7
[M+Na-2H]- 227.005286 146.9
[M]+ 206.03007142 155.1
[M]- 206.03116858 155.1
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.