CID 14141556

(e)-2-(3-(benzyloxy)prop-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C16H23BO3
SMILES
B1(OC(C(O1)(C)C)(C)C)/C=C/COCC2=CC=CC=C2
InChI
InChI=1S/C16H23BO3/c1-15(2)16(3,4)20-17(19-15)11-8-12-18-13-14-9-6-5-7-10-14/h5-11H,12-13H2,1-4H3/b11-8+
InChIKey
BTARFBQKFDEYQI-DHZHZOJOSA-N
Compound name
4,4,5,5-tetramethyl-2-[(E)-3-phenylmethoxyprop-1-enyl]-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

274.174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18128 161.2
[M+Na]+ 297.16322 168.9
[M-H]- 273.16672 169.2
[M+NH4]+ 292.20782 180.9
[M+K]+ 313.13716 168.4
[M+H-H2O]+ 257.17126 156.2
[M+HCOO]- 319.17220 181.7
[M+CH3COO]- 333.18785 197.3
[M+Na-2H]- 295.14867 166.6
[M]+ 274.17345 165.6
[M]- 274.17455 165.6
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