CID 72219140

2-cyclopropyloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Structural Information

Molecular Formula
C14H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)OC3CC3
InChI
InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)10-5-8-12(16-9-10)17-11-6-7-11/h5,8-9,11H,6-7H2,1-4H3
InChIKey
XAMGEBGDXSLIPI-UHFFFAOYSA-N
Compound name
2-cyclopropyloxy-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

17
Patents

261.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16091 156.6
[M+Na]+ 284.14285 167.0
[M-H]- 260.14635 167.5
[M+NH4]+ 279.18745 170.6
[M+K]+ 300.11679 168.1
[M+H-H2O]+ 244.15089 150.9
[M+HCOO]- 306.15183 175.5
[M+CH3COO]- 320.16748 197.8
[M+Na-2H]- 282.12830 162.0
[M]+ 261.15308 163.2
[M]- 261.15418 163.2
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