CID 155821135

1-(bromomethyl)-4-methoxybicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C9H15BrO
SMILES
COC12CCC(C1)(CC2)CBr
InChI
InChI=1S/C9H15BrO/c1-11-9-4-2-8(6-9,7-10)3-5-9/h2-7H2,1H3
InChIKey
AQTBJDVDSSJBED-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-methoxybicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.03062 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.037896 148.1
[M+Na]+ 241.019838 159.7
[M-H]- 217.023344 153.8
[M+NH4]+ 236.064443 178.7
[M+K]+ 256.993778 149.7
[M+H-H2O]+ 201.027880 150.9
[M+HCOO]- 263.028821 167.5
[M+CH3COO]- 277.044471 183.6
[M+Na-2H]- 239.005286 155.3
[M]+ 218.03007142 166.6
[M]- 218.03116858 166.6
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.