CID 46738000

2,2,6,6-tetramethyl-3,6-dihydro-2h-pyran-4-boronic acid pinacol ester

Structural Information

Molecular Formula
C15H27BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(OC(C2)(C)C)(C)C
InChI
InChI=1S/C15H27BO3/c1-12(2)9-11(10-13(3,4)17-12)16-18-14(5,6)15(7,8)19-16/h9H,10H2,1-8H3
InChIKey
VOXXPMAJNSVUKJ-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-(2,2,6,6-tetramethyl-3H-pyran-4-yl)-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

266.20532 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.21260 148.1
[M+Na]+ 289.19454 157.6
[M-H]- 265.19804 157.5
[M+NH4]+ 284.23914 171.3
[M+K]+ 305.16848 160.1
[M+H-H2O]+ 249.20258 146.2
[M+HCOO]- 311.20352 164.8
[M+CH3COO]- 325.21917 199.3
[M+Na-2H]- 287.17999 155.5
[M]+ 266.20477 152.8
[M]- 266.20587 152.8
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

patents stripe