CID 53395414

1-bromo-4-methylhex-3-ene

Structural Information

Molecular Formula
C7H13Br
SMILES
CCC(=CCCBr)C
InChI
InChI=1S/C7H13Br/c1-3-7(2)5-4-6-8/h5H,3-4,6H2,1-2H3
InChIKey
VNXHKKCMHWXNJW-UHFFFAOYSA-N
Compound name
1-bromo-4-methylhex-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

176.02007 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 132.5
[M+Na]+ 199.00929 134.5
[M+NH4]+ 194.05389 137.6
[M+K]+ 214.98323 134.0
[M-H]- 175.01279 131.4
[M+Na-2H]- 196.99474 134.0
[M]+ 176.01952 131.2
[M]- 176.02062 131.2
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