CID 54046903

6-bromo-3-methylhexa-1,3-diene

Structural Information

Molecular Formula
C7H11Br
SMILES
CC(=CCCBr)C=C
InChI
InChI=1S/C7H11Br/c1-3-7(2)5-4-6-8/h3,5H,1,4,6H2,2H3
InChIKey
LQFAWCKIXMILTH-UHFFFAOYSA-N
Compound name
6-bromo-3-methylhexa-1,3-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

174.00441 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01169 131.6
[M+Na]+ 196.99363 142.4
[M-H]- 172.99713 134.7
[M+NH4]+ 192.03823 155.5
[M+K]+ 212.96757 131.5
[M+H-H2O]+ 157.00167 132.7
[M+HCOO]- 219.00261 152.0
[M+CH3COO]- 233.01826 179.5
[M+Na-2H]- 194.97908 138.2
[M]+ 174.00386 149.5
[M]- 174.00496 149.5
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