CID 86685458

1437051-80-3

Structural Information

Molecular Formula

C₁₀H₁₄BNO₂

SMILES

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

InChI

InChI=1S/C10H14BNO2/c1-10(2)8-4-3-7(6-12)5-9(8)11(13)14-10/h3-5,13H,6,12H2,1-2H3

InChIKey

GOKXCNGZACOZPV-UHFFFAOYSA-N

Compound name

(1-hydroxy-3,3-dimethyl-2,1-benzoxaborol-6-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 191.11176 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]+	192.11904	139.1
[M+Na]+	214.10098	150.4
[M+NH4]+	209.14558	149.2
[M+K]+	230.07492	145.1
[M-H]-	190.10448	142.5
[M+Na-2H]-	212.08643	144.4
[M]+	191.11121	141.7
[M]-	191.11231	141.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe