CID 18754990

179251-29-7

Structural Information

Molecular Formula

C₁₀H₁₃BO₂

SMILES

B(C1=CC=C(C=C1)CC2CC2)(O)O

InChI

InChI=1S/C10H13BO2/c12-11(13)10-5-3-9(4-6-10)7-8-1-2-8/h3-6,8,12-13H,1-2,7H2

InChIKey

SLNCAWULSVDPOV-UHFFFAOYSA-N

Compound name

[4-(cyclopropylmethyl)phenyl]boronic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
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	132.5
[M+Na]+	199.09008	140.9
[M-H]-	175.09358	137.7
[M+NH4]+	194.13468	146.7
[M+K]+	215.06402	137.4
[M+H-H2O]+	159.09812	126.6
[M+HCOO]-	221.09906	153.7
[M+CH3COO]-	235.11471	179.6
[M+Na-2H]-	197.07553	138.0
[M]+	176.10031	133.4
[M]-	176.10141	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe