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]+ 219.03790 148.1
[M+Na]+ 241.01984 159.7
[M-H]- 217.02334 153.8
[M+NH4]+ 236.06444 178.7
[M+K]+ 256.99378 149.7
[M+H-H2O]+ 201.02788 150.9
[M+HCOO]- 263.02882 167.5
[M+CH3COO]- 277.04447 183.6
[M+Na-2H]- 239.00529 155.3
[M]+ 218.03007 166.6
[M]- 218.03117 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.