CID 13638116

6-bromo-2-methylhex-2-ene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

176.02007 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.02735 133.5
[M+Na]+ 199.00929 144.1
[M-H]- 175.01279 136.5
[M+NH4]+ 194.05389 157.4
[M+K]+ 214.98323 133.7
[M+H-H2O]+ 159.01733 134.5
[M+HCOO]- 221.01827 153.7
[M+CH3COO]- 235.03392 180.4
[M+Na-2H]- 196.99474 140.0
[M]+ 176.01952 152.1
[M]- 176.02062 152.1
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