CID 49760466

1243312-43-7

Structural Information

Molecular Formula
C12H18BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=NC=C2)OC
InChI
InChI=1S/C12H18BNO3/c1-11(2)12(3,4)17-13(16-11)9-6-7-14-8-10(9)15-5/h6-8H,1-5H3
InChIKey
HLRJDJZOIOTKSF-UHFFFAOYSA-N
Compound name
3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

235.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14525 146.6
[M+Na]+ 258.12719 156.5
[M-H]- 234.13069 154.2
[M+NH4]+ 253.17179 166.9
[M+K]+ 274.10113 157.6
[M+H-H2O]+ 218.13523 141.4
[M+HCOO]- 280.13617 167.0
[M+CH3COO]- 294.15182 190.6
[M+Na-2H]- 256.11264 153.4
[M]+ 235.13742 151.4
[M]- 235.13852 151.4
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