CID 133670967

2-[(1e)-3-methoxy-3-methylbut-1-en-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C12H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/C(C)(C)OC
InChI
InChI=1S/C12H23BO3/c1-10(2,14-7)8-9-13-15-11(3,4)12(5,6)16-13/h8-9H,1-7H3/b9-8+
InChIKey
FAMSLEHBNJOMMH-CMDGGOBGSA-N
Compound name
2-[(E)-3-methoxy-3-methylbut-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.17403 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.18131 146.2
[M+Na]+ 249.16325 154.4
[M-H]- 225.16675 151.3
[M+NH4]+ 244.20785 168.4
[M+K]+ 265.13719 155.9
[M+H-H2O]+ 209.17129 144.2
[M+HCOO]- 271.17223 164.9
[M+CH3COO]- 285.18788 190.3
[M+Na-2H]- 247.14870 153.4
[M]+ 226.17348 151.3
[M]- 226.17458 151.3
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.