CID 101184177

1-bromo-12-(tert-butoxy)dodecane

Structural Information

Molecular Formula
C16H33BrO
SMILES
CC(C)(C)OCCCCCCCCCCCCBr
InChI
InChI=1S/C16H33BrO/c1-16(2,3)18-15-13-11-9-7-5-4-6-8-10-12-14-17/h4-15H2,1-3H3
InChIKey
ORGRFKLXDYVNCO-UHFFFAOYSA-N
Compound name
1-bromo-12-[(2-methylpropan-2-yl)oxy]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.17148 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.17876 179.8
[M+Na]+ 343.16070 187.1
[M-H]- 319.16420 181.3
[M+NH4]+ 338.20530 198.5
[M+K]+ 359.13464 175.3
[M+H-H2O]+ 303.16874 179.2
[M+HCOO]- 365.16968 196.6
[M+CH3COO]- 379.18533 207.9
[M+Na-2H]- 341.14615 183.0
[M]+ 320.17093 203.7
[M]- 320.17203 203.7
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.