CID 49758783

2223035-77-4

Structural Information

Molecular Formula

C₁₂H₁₉BN₂O₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)OCC

InChI

InChI=1S/C12H19BN2O3/c1-6-16-10-14-7-9(8-15-10)13-17-11(2,3)12(4,5)18-13/h7-8H,6H2,1-5H3

InChIKey

LRZCARRDCNWOIO-UHFFFAOYSA-N

Compound name

2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 250.14888 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]+	251.156156	151.1
[M+Na]+	273.138098	160.9
[M-H]-	249.141604	157.2
[M+NH4]+	268.182703	169.3
[M+K]+	289.112038	161.9
[M+H-H2O]+	233.146140	144.8
[M+HCOO]-	295.147081	170.1
[M+CH3COO]-	309.162731	193.4
[M+Na-2H]-	271.123546	157.5
[M]+	250.14833142	156.3
[M]-	250.14942858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe