CID 44557753

1198605-54-7

Structural Information

Molecular Formula

C₁₁H₁₈BNO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CNC(=C2)C

InChI

InChI=1S/C11H18BNO2/c1-8-6-9(7-13-8)12-14-10(2,3)11(4,5)15-12/h6-7,13H,1-5H3

InChIKey

WPLDVCFODPKVKF-UHFFFAOYSA-N

Compound name

2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 207.14307 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]+	208.150346	140.7
[M+Na]+	230.132288	150.4
[M-H]-	206.135794	146.9
[M+NH4]+	225.176893	163.1
[M+K]+	246.106228	150.2
[M+H-H2O]+	190.140330	137.2
[M+HCOO]-	252.141271	160.3
[M+CH3COO]-	266.156921	183.4
[M+Na-2H]-	228.117736	145.1
[M]+	207.14252142	142.5
[M]-	207.14361858	142.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe