CID 65000973

1-(bromomethyl)-1-(methoxymethyl)cyclopentane

Structural Information

Molecular Formula
C8H15BrO
SMILES
COCC1(CCCC1)CBr
InChI
InChI=1S/C8H15BrO/c1-10-7-8(6-9)4-2-3-5-8/h2-7H2,1H3
InChIKey
BMWJOVKCWFVEDW-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(methoxymethyl)cyclopentane
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 141.8
[M+Na]+ 229.019838 152.0
[M-H]- 205.023344 147.7
[M+NH4]+ 224.064443 167.8
[M+K]+ 244.993778 142.5
[M+H-H2O]+ 189.027880 143.3
[M+HCOO]- 251.028821 162.4
[M+CH3COO]- 265.044471 181.6
[M+Na-2H]- 227.005286 148.3
[M]+ 206.03007142 159.6
[M]- 206.03116858 159.6
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.