CID 45382262

9-ethylcarbazole-3-boronic acid

Structural Information

Molecular Formula

C₁₄H₁₄BNO₂

SMILES

B(C1=CC2=C(C=C1)N(C3=CC=CC=C32)CC)(O)O

InChI

InChI=1S/C14H14BNO2/c1-2-16-13-6-4-3-5-11(13)12-9-10(15(17)18)7-8-14(12)16/h3-9,17-18H,2H2,1H3

InChIKey

JUBKLYCRFZTXBA-UHFFFAOYSA-N

Compound name

(9-ethylcarbazol-3-yl)boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 239.11176 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]+	240.11904	151.6
[M+Na]+	262.10098	161.7
[M-H]-	238.10448	154.1
[M+NH4]+	257.14558	171.1
[M+K]+	278.07492	156.6
[M+H-H2O]+	222.10902	145.5
[M+HCOO]-	284.10996	171.2
[M+CH3COO]-	298.12561	164.2
[M+Na-2H]-	260.08643	157.2
[M]+	239.11121	153.7
[M]-	239.11231	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe