CID 145874240

2246920-82-9

Structural Information

Molecular Formula
C13H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C2CCOCC2
InChI
InChI=1S/C13H23BO3/c1-12(2)13(3,4)17-14(16-12)8-5-11-6-9-15-10-7-11/h5,8,11H,6-7,9-10H2,1-4H3/b8-5+
InChIKey
XNDFSDONEUAXBI-VMPITWQZSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-2-(oxan-4-yl)ethenyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

238.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.18131 152.6
[M+Na]+ 261.16325 158.5
[M-H]- 237.16675 160.5
[M+NH4]+ 256.20785 172.1
[M+K]+ 277.13719 160.1
[M+H-H2O]+ 221.17129 148.6
[M+HCOO]- 283.17223 168.6
[M+CH3COO]- 297.18788 189.9
[M+Na-2H]- 259.14870 157.5
[M]+ 238.17348 152.2
[M]- 238.17458 152.2
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