CID 13865701

5-(bromomethyl)cyclooct-1-ene

Structural Information

Molecular Formula
C9H15Br
SMILES
C1C/C=C\CCC(C1)CBr
InChI
InChI=1S/C9H15Br/c10-8-9-6-4-2-1-3-5-7-9/h1-2,9H,3-8H2/b2-1-
InChIKey
HGTVLUGMSRTWIB-UPHRSURJSA-N
Compound name
(1Z)-5-(bromomethyl)cyclooctene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

202.0357 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.042976 143.4
[M+Na]+ 225.024918 149.0
[M-H]- 201.028424 146.2
[M+NH4]+ 220.069523 153.6
[M+K]+ 240.998858 145.6
[M+H-H2O]+ 185.032960 142.9
[M+HCOO]- 247.033901 152.0
[M+CH3COO]- 261.049551 222.1
[M+Na-2H]- 223.010366 145.2
[M]+ 202.03515142 149.8
[M]- 202.03624858 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

literature stripe

Patent stripe

patents stripe