CID 53398059

947249-19-6

Structural Information

Molecular Formula

C₁₂H₁₉BN₂O₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N)OC

InChI

InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)8-6-9(16-5)10(14)15-7-8/h6-7H,1-5H3,(H2,14,15)

InChIKey

OXNSEGHJPTXNPF-UHFFFAOYSA-N

Compound name

3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
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	152.1
[M+Na]+	273.138098	161.9
[M-H]-	249.141604	159.4
[M+NH4]+	268.182703	171.4
[M+K]+	289.112038	162.5
[M+H-H2O]+	233.146140	146.8
[M+HCOO]-	295.147081	172.7
[M+CH3COO]-	309.162731	196.3
[M+Na-2H]-	271.123546	157.5
[M]+	250.14833142	155.6
[M]-	250.14942858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe