CID 71337215

(1z)-5-(bromomethyl)cyclooct-1-ene

Structural Information

Molecular Formula
C9H15Br
SMILES
C1CC=CCCC(C1)CBr
InChI
InChI=1S/C9H15Br/c10-8-9-6-4-2-1-3-5-7-9/h1-2,9H,3-8H2
InChIKey
HGTVLUGMSRTWIB-UHFFFAOYSA-N
Compound name
5-(bromomethyl)cyclooctene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0357 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04298 143.4
[M+Na]+ 225.02492 149.0
[M-H]- 201.02842 146.2
[M+NH4]+ 220.06952 153.6
[M+K]+ 240.99886 145.6
[M+H-H2O]+ 185.03296 142.9
[M+HCOO]- 247.03390 152.0
[M+CH3COO]- 261.04955 222.1
[M+Na-2H]- 223.01037 145.2
[M]+ 202.03515 149.8
[M]- 202.03625 149.8
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.