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-H]- 305.14854 177.0
[M+NH4]+ 324.18964 194.5
[M+K]+ 345.11898 171.4
[M+H-H2O]+ 289.15308 174.9
[M+HCOO]- 351.15402 192.4
[M+CH3COO]- 365.16967 205.1
[M+Na-2H]- 327.13049 179.0
[M]+ 306.15527 198.8
[M]- 306.15637 198.8
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

No patent data available for this compound.