CID 22184118

(5,6,7,8-tetrahydronaphthalen-2-yl)boronic acid

Structural Information

Molecular Formula

C₁₀H₁₃BO₂

SMILES

B(C1=CC2=C(CCCC2)C=C1)(O)O

InChI

InChI=1S/C10H13BO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h5-7,12-13H,1-4H2

InChIKey

LMASCDCJPOZWMK-UHFFFAOYSA-N

Compound name

5,6,7,8-tetrahydronaphthalen-2-ylboronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
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	135.6
[M+Na]+	199.09008	141.3
[M-H]-	175.09358	136.9
[M+NH4]+	194.13468	155.3
[M+K]+	215.06402	138.4
[M+H-H2O]+	159.09812	130.3
[M+HCOO]-	221.09906	153.0
[M+CH3COO]-	235.11471	175.7
[M+Na-2H]-	197.07553	141.4
[M]+	176.10031	131.0
[M]-	176.10141	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe