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]+ 177.027346 133.5
[M+Na]+ 199.009288 144.1
[M-H]- 175.012794 136.5
[M+NH4]+ 194.053893 157.4
[M+K]+ 214.983228 133.7
[M+H-H2O]+ 159.017330 134.5
[M+HCOO]- 221.018271 153.7
[M+CH3COO]- 235.033921 180.4
[M+Na-2H]- 196.994736 140.0
[M]+ 176.01952142 152.1
[M]- 176.02061858 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