CID 163409793

2489456-39-3

Structural Information

Molecular Formula
C13H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C23CC2CCCOC3
InChI
InChI=1S/C13H23BO3/c1-11(2)12(3,4)17-14(16-11)13-8-10(13)6-5-7-15-9-13/h10H,5-9H2,1-4H3
InChIKey
AGOFVDCWQURBOW-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(3-oxabicyclo[5.1.0]octan-1-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.181306 142.7
[M+Na]+ 261.163248 149.3
[M-H]- 237.166754 153.0
[M+NH4]+ 256.207853 158.6
[M+K]+ 277.137188 154.1
[M+H-H2O]+ 221.171290 139.0
[M+HCOO]- 283.172231 155.9
[M+CH3COO]- 297.187881 155.0
[M+Na-2H]- 259.148696 149.9
[M]+ 238.17348142 144.1
[M]- 238.17457858 144.1
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.