CID 165592710

1-bromo-11-(tert-butoxy)undecane

Structural Information

Molecular Formula
C15H31BrO
SMILES
CC(C)(C)OCCCCCCCCCCCBr
InChI
InChI=1S/C15H31BrO/c1-15(2,3)17-14-12-10-8-6-4-5-7-9-11-13-16/h4-14H2,1-3H3
InChIKey
SVDPKRUNQYZBPK-UHFFFAOYSA-N
Compound name
1-bromo-11-[(2-methylpropan-2-yl)oxy]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.15582 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.16310 175.3
[M+Na]+ 329.14504 183.0
[M+NH4]+ 324.18964 177.0
[M+K]+ 345.11898 194.5
[M-H]- 305.14854 171.4
[M+Na-2H]- 327.13049 174.9
[M]+ 306.15527 192.4
[M]- 306.15637 205.1
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.