CID 6437045

(e)-1-bromo-3-octene

Structural Information

Molecular Formula
C8H15Br
SMILES
CCCC/C=C/CCBr
InChI
InChI=1S/C8H15Br/c1-2-3-4-5-6-7-8-9/h5-6H,2-4,7-8H2,1H3/b6-5+
InChIKey
NYKRPDPOVZMFOO-AATRIKPKSA-N
Compound name
(E)-1-bromooct-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

190.0357 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.042976 137.3
[M+Na]+ 213.024918 147.7
[M-H]- 189.028424 140.1
[M+NH4]+ 208.069523 160.8
[M+K]+ 228.998858 136.7
[M+H-H2O]+ 173.032960 138.1
[M+HCOO]- 235.033901 158.2
[M+CH3COO]- 249.049551 182.5
[M+Na-2H]- 211.010366 144.5
[M]+ 190.03515142 156.9
[M]- 190.03624858 156.9
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