CID 79591243

7-bromo-2,4-dimethylhepta-2,4-diene

Structural Information

Molecular Formula
C9H15Br
SMILES
CC(=CC(=CCCBr)C)C
InChI
InChI=1S/C9H15Br/c1-8(2)7-9(3)5-4-6-10/h5,7H,4,6H2,1-3H3
InChIKey
OMBPZEDITHAOJO-UHFFFAOYSA-N
Compound name
7-bromo-2,4-dimethylhepta-2,4-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.0357 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04298 141.6
[M+Na]+ 225.02492 151.5
[M-H]- 201.02842 144.4
[M+NH4]+ 220.06952 164.5
[M+K]+ 240.99886 140.4
[M+H-H2O]+ 185.03296 142.4
[M+HCOO]- 247.03390 160.4
[M+CH3COO]- 261.04955 185.3
[M+Na-2H]- 223.01037 145.8
[M]+ 202.03515 159.5
[M]- 202.03625 159.5
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

No patent data available for this compound.