CID 167722189

En300-27741874

Structural Information

Molecular Formula
C13H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C(=C)C2CCCCO2
InChI
InChI=1S/C13H23BO3/c1-10(11-8-6-7-9-15-11)14-16-12(2,3)13(4,5)17-14/h11H,1,6-9H2,2-5H3
InChIKey
HAKNTGVHGKUXIK-UHFFFAOYSA-N
Compound name
4,4,5,5-tetramethyl-2-[1-(oxan-2-yl)ethenyl]-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]+ 239.18131 152.8
[M+Na]+ 261.16325 158.3
[M-H]- 237.16675 160.7
[M+NH4]+ 256.20785 172.1
[M+K]+ 277.13719 160.4
[M+H-H2O]+ 221.17129 149.0
[M+HCOO]- 283.17223 167.7
[M+CH3COO]- 297.18788 191.5
[M+Na-2H]- 259.14870 156.6
[M]+ 238.17348 151.9
[M]- 238.17458 151.9
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.