CID 44119572

664991-83-7

Structural Information

Molecular Formula
C15H21BO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)OCC3CO3
InChI
InChI=1S/C15H21BO4/c1-14(2)15(3,4)20-16(19-14)11-5-7-12(8-6-11)17-9-13-10-18-13/h5-8,13H,9-10H2,1-4H3
InChIKey
SMSGMQUMNANAOD-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[4-(oxiran-2-ylmethoxy)phenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

276.1533 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.16058 162.3
[M+Na]+ 299.14252 176.6
[M+NH4]+ 294.18712 173.7
[M+K]+ 315.11646 171.0
[M-H]- 275.14602 177.6
[M+Na-2H]- 297.12797 172.9
[M]+ 276.15275 170.4
[M]- 276.15385 170.4
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