CID 10965066

1-bromo-3-ethyl-2-pentene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
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

No literature data available for this compound.

Patent stripe

patents stripe