CID 45361770

1083168-92-6

Structural Information

Molecular Formula
C13H20BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)OC)OC
InChI
InChI=1S/C13H20BNO4/c1-12(2)13(3,4)19-14(18-12)9-7-10(16-5)11(17-6)15-8-9/h7-8H,1-6H3
InChIKey
CJHRJDZURRUHSH-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-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

147
Patents

265.14853 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.15581 153.1
[M+Na]+ 288.13775 163.3
[M-H]- 264.14125 160.9
[M+NH4]+ 283.18235 172.4
[M+K]+ 304.11169 164.8
[M+H-H2O]+ 248.14579 148.0
[M+HCOO]- 310.14673 173.3
[M+CH3COO]- 324.16238 197.0
[M+Na-2H]- 286.12320 159.0
[M]+ 265.14798 160.2
[M]- 265.14908 160.2
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