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]+ 177.027346 133.9
[M+Na]+ 199.009288 144.1
[M-H]- 175.012794 137.0
[M+NH4]+ 194.053893 157.6
[M+K]+ 214.983228 134.1
[M+H-H2O]+ 159.017330 134.9
[M+HCOO]- 221.018271 153.1
[M+CH3COO]- 235.033921 181.8
[M+Na-2H]- 196.994736 139.1
[M]+ 176.01952142 151.9
[M]- 176.02061858 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.