CID 86685455

1437051-62-1

Structural Information

Molecular Formula

C₁₀H₁₃BO₂

SMILES

B1(C2=C(C=CC(=C2)C)C(O1)(C)C)O

InChI

InChI=1S/C10H13BO2/c1-7-4-5-8-9(6-7)11(12)13-10(8,2)3/h4-6,12H,1-3H3

InChIKey

YHLJNIYISMRAQQ-UHFFFAOYSA-N

Compound name

1-hydroxy-3,3,6-trimethyl-2,1-benzoxaborole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 176.10086 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]+	177.10814	134.6
[M+Na]+	199.09008	147.5
[M+NH4]+	194.13468	145.5
[M+K]+	215.06402	141.6
[M-H]-	175.09358	138.0
[M+Na-2H]-	197.07553	140.7
[M]+	176.10031	137.6
[M]-	176.10141	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe