CID 129913694

5-bromo-2-methylhex-1-ene

Structural Information

Molecular Formula
C7H13Br
SMILES
CC(CCC(=C)C)Br
InChI
InChI=1S/C7H13Br/c1-6(2)4-5-7(3)8/h7H,1,4-5H2,2-3H3
InChIKey
QZNJDFBOSGOGQB-UHFFFAOYSA-N
Compound name
5-bromo-2-methylhex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.02007 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 131.4
[M+Na]+ 199.00929 133.1
[M+NH4]+ 194.05389 136.4
[M+K]+ 214.98323 133.4
[M-H]- 175.01279 130.2
[M+Na-2H]- 196.99474 132.7
[M]+ 176.01952 130.0
[M]- 176.02062 130.0
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.