CID 10901082

Heptane, 1-bromo-7-(1,1-dimethylethoxy)-

Structural Information

Molecular Formula
C11H23BrO
SMILES
CC(C)(C)OCCCCCCCBr
InChI
InChI=1S/C11H23BrO/c1-11(2,3)13-10-8-6-4-5-7-9-12/h4-10H2,1-3H3
InChIKey
NONIPQPOUADPFN-UHFFFAOYSA-N
Compound name
1-bromo-7-[(2-methylpropan-2-yl)oxy]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.09323 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10051 156.9
[M+Na]+ 273.08245 166.2
[M-H]- 249.08595 159.4
[M+NH4]+ 268.12705 178.3
[M+K]+ 289.05639 155.7
[M+H-H2O]+ 233.09049 157.3
[M+HCOO]- 295.09143 175.4
[M+CH3COO]- 309.10708 193.9
[M+Na-2H]- 271.06790 162.8
[M]+ 250.09268 179.1
[M]- 250.09378 179.1
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

No patent data available for this compound.