CID 118798230

1219021-46-1

Structural Information

Molecular Formula

C₁₃H₂₁BO₂

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC3CCC2C3

InChI

InChI=1S/C13H21BO2/c1-12(2)13(3,4)16-14(15-12)11-8-9-5-6-10(11)7-9/h8-10H,5-7H2,1-4H3

InChIKey

RDRIINBHGGSOPA-UHFFFAOYSA-N

Compound name

2-(2-bicyclo[2.2.1]hept-2-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 220.16347 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]+	221.170746	147.8
[M+Na]+	243.152688	156.8
[M-H]-	219.156194	155.7
[M+NH4]+	238.197293	174.9
[M+K]+	259.126628	156.2
[M+H-H2O]+	203.160730	146.2
[M+HCOO]-	265.161671	166.9
[M+CH3COO]-	279.177321	162.2
[M+Na-2H]-	241.138136	150.8
[M]+	220.16292142	150.2
[M]-	220.16401858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe