CID 71256614

1422655-38-6

Structural Information

Molecular Formula

C₁₄H₂₁BO₄

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CO)OC

InChI

InChI=1S/C14H21BO4/c1-13(2)14(3,4)19-15(18-13)11-7-6-10(9-16)8-12(11)17-5/h6-8,16H,9H2,1-5H3

InChIKey

BTOQVCRKMJDNPJ-UHFFFAOYSA-N

Compound name

[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 264.1533 Da
Monoisotopic Mass: None
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.160576	154.7
[M+Na]+	287.142518	164.1
[M-H]-	263.146024	162.4
[M+NH4]+	282.187123	174.7
[M+K]+	303.116458	164.4
[M+H-H2O]+	247.150560	150.8
[M+HCOO]-	309.151501	174.3
[M+CH3COO]-	323.167151	194.9
[M+Na-2H]-	285.127966	159.9
[M]+	264.15275142	159.8
[M]-	264.15384858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe