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]+ 239.181306 152.8
[M+Na]+ 261.163248 158.3
[M-H]- 237.166754 160.7
[M+NH4]+ 256.207853 172.1
[M+K]+ 277.137188 160.4
[M+H-H2O]+ 221.171290 149.0
[M+HCOO]- 283.172231 167.7
[M+CH3COO]- 297.187881 191.5
[M+Na-2H]- 259.148696 156.6
[M]+ 238.17348142 151.9
[M]- 238.17457858 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.