CID 122362451

1383675-83-9

Structural Information

Molecular Formula

C₁₂H₁₉BN₂O₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C3N(CCCO3)N=C2

InChI

InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)9-8-14-15-6-5-7-16-10(9)15/h8H,5-7H2,1-4H3

InChIKey

KJIVFEQWJYSIIP-UHFFFAOYSA-N

Compound name

3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
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	151.9
[M+Na]+	273.138098	161.1
[M-H]-	249.141604	158.9
[M+NH4]+	268.182703	171.2
[M+K]+	289.112038	162.5
[M+H-H2O]+	233.146140	146.6
[M+HCOO]-	295.147081	167.4
[M+CH3COO]-	309.162731	165.0
[M+Na-2H]-	271.123546	156.4
[M]+	250.14833142	154.3
[M]-	250.14942858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe