CID 86207904

1-(1-ethoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole

Structural Information

Molecular Formula

C₁₃H₂₃BN₂O₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC=NN2C(C)OCC

InChI

InChI=1S/C13H23BN2O3/c1-7-17-10(2)16-11(8-9-15-16)14-18-12(3,4)13(5,6)19-14/h8-10H,7H2,1-6H3

InChIKey

UKRZURWJHGZFFY-UHFFFAOYSA-N

Compound name

1-(1-ethoxyethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.18018 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]+	267.187456	155.7
[M+Na]+	289.169398	164.5
[M-H]-	265.172904	161.7
[M+NH4]+	284.214003	175.0
[M+K]+	305.143338	165.9
[M+H-H2O]+	249.177440	150.7
[M+HCOO]-	311.178381	174.1
[M+CH3COO]-	325.194031	197.5
[M+Na-2H]-	287.154846	158.3
[M]+	266.17963142	161.4
[M]-	266.18072858	161.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.