CID 166152111

2875497-15-5

Structural Information

Molecular Formula

C₁₂H₁₉BN₂O₃

SMILES

B1(OC(C(O1)(C)C)(C)C)C2=C3N(CCO3)N=C2C

InChI

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

InChIKey

RMFUGTAHDQUEHU-UHFFFAOYSA-N

Compound name

6-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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	150.1
[M+Na]+	273.138098	160.9
[M-H]-	249.141604	158.0
[M+NH4]+	268.182703	171.5
[M+K]+	289.112038	162.3
[M+H-H2O]+	233.146140	147.0
[M+HCOO]-	295.147081	167.9
[M+CH3COO]-	309.162731	164.3
[M+Na-2H]-	271.123546	152.8
[M]+	250.14833142	155.2
[M]-	250.14942858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe