CID 24208882

2-(2-phenylethyl)-1,3,6,2-dioxazaborocane

Structural Information

Molecular Formula
C12H18BNO2
SMILES
B1(OCCNCCO1)CCC2=CC=CC=C2
InChI
InChI=1S/C12H18BNO2/c1-2-4-12(5-3-1)6-7-13-15-10-8-14-9-11-16-13/h1-5,14H,6-11H2
InChIKey
NYYNBCZSIYCXIZ-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)-1,3,6,2-dioxazaborocane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.14307 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15035 146.2
[M+Na]+ 242.13229 150.2
[M+NH4]+ 237.17689 148.9
[M+K]+ 258.10623 149.5
[M-H]- 218.13579 148.1
[M+Na-2H]- 240.11774 149.7
[M]+ 219.14252 147.2
[M]- 219.14362 147.2
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

patents stripe