CID 24208797

947191-69-7

Structural Information

Molecular Formula
C15H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OCC3CC3
InChI
InChI=1S/C15H22BNO3/c1-14(2)15(3,4)20-16(19-14)12-7-8-13(17-9-12)18-10-11-5-6-11/h7-9,11H,5-6,10H2,1-4H3
InChIKey
QEQNYJUPYICBCR-UHFFFAOYSA-N
Compound name
2-(cyclopropylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

275.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.17656 160.7
[M+Na]+ 298.15850 170.8
[M-H]- 274.16200 171.5
[M+NH4]+ 293.20310 174.3
[M+K]+ 314.13244 171.7
[M+H-H2O]+ 258.16654 154.9
[M+HCOO]- 320.16748 179.3
[M+CH3COO]- 334.18313 200.7
[M+Na-2H]- 296.14395 165.7
[M]+ 275.16873 167.7
[M]- 275.16983 167.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe