CID 53435063

1-bromo-6,6-dimethylheptane

Structural Information

Molecular Formula
C9H19Br
SMILES
CC(C)(C)CCCCCBr
InChI
InChI=1S/C9H19Br/c1-9(2,3)7-5-4-6-8-10/h4-8H2,1-3H3
InChIKey
ZUFVFHCSIZGUDV-UHFFFAOYSA-N
Compound name
1-bromo-6,6-dimethylheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

206.06702 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07430 144.7
[M+Na]+ 229.05624 154.9
[M-H]- 205.05974 147.6
[M+NH4]+ 224.10084 167.8
[M+K]+ 245.03018 144.5
[M+H-H2O]+ 189.06428 145.8
[M+HCOO]- 251.06522 163.6
[M+CH3COO]- 265.08087 186.5
[M+Na-2H]- 227.04169 151.7
[M]+ 206.06647 164.8
[M]- 206.06757 164.8
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