CID 170903195

2-(3-(tert-butoxy)prop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C13H25BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/COC(C)(C)C
InChI
InChI=1S/C13H25BO3/c1-11(2,3)15-10-8-9-14-16-12(4,5)13(6,7)17-14/h8-9H,10H2,1-7H3/b9-8+
InChIKey
MRZLIJYKNFJLAU-CMDGGOBGSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.18968 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.19696 151.0
[M+Na]+ 263.17890 158.9
[M-H]- 239.18240 156.0
[M+NH4]+ 258.22350 172.7
[M+K]+ 279.15284 160.2
[M+H-H2O]+ 223.18694 148.9
[M+HCOO]- 285.18788 169.4
[M+CH3COO]- 299.20353 192.6
[M+Na-2H]- 261.16435 157.7
[M]+ 240.18913 156.5
[M]- 240.19023 156.5
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.