CID 72221014

1375301-82-8

Structural Information

Molecular Formula
C14H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)OCCC
InChI
InChI=1S/C14H22BNO3/c1-6-7-17-12-8-11(9-16-10-12)15-18-13(2,3)14(4,5)19-15/h8-10H,6-7H2,1-5H3
InChIKey
ZKAURAWYWMFCIZ-UHFFFAOYSA-N
Compound name
3-propoxy-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

0
Patents

263.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17656 155.9
[M+Na]+ 286.15850 164.9
[M-H]- 262.16200 163.1
[M+NH4]+ 281.20310 175.0
[M+K]+ 302.13244 165.5
[M+H-H2O]+ 246.16654 150.3
[M+HCOO]- 308.16748 175.6
[M+CH3COO]- 322.18313 196.6
[M+Na-2H]- 284.14395 161.6
[M]+ 263.16873 161.3
[M]- 263.16983 161.3
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

No patent data available for this compound.