CID 16218351

6-butyl-2-phenyl-1,3,6,2-dioxazaborocane

Structural Information

Molecular Formula
C14H22BNO2
SMILES
B1(OCCN(CCO1)CCCC)C2=CC=CC=C2
InChI
InChI=1S/C14H22BNO2/c1-2-3-9-16-10-12-17-15(18-13-11-16)14-7-5-4-6-8-14/h4-8H,2-3,9-13H2,1H3
InChIKey
XBJLGTGASXIEFZ-UHFFFAOYSA-N
Compound name
6-butyl-2-phenyl-1,3,6,2-dioxazaborocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.17436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.18164 150.8
[M+Na]+ 270.16358 154.9
[M+NH4]+ 265.20818 153.5
[M+K]+ 286.13752 154.0
[M-H]- 246.16708 152.8
[M+Na-2H]- 268.14903 154.1
[M]+ 247.17381 151.9
[M]- 247.17491 151.9
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.