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 133.9
[M+Na]+ 199.00929 144.1
[M-H]- 175.01279 137.0
[M+NH4]+ 194.05389 157.6
[M+K]+ 214.98323 134.1
[M+H-H2O]+ 159.01733 134.9
[M+HCOO]- 221.01827 153.1
[M+CH3COO]- 235.03392 181.8
[M+Na-2H]- 196.99474 139.1
[M]+ 176.01952 151.9
[M]- 176.02062 151.9
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.