CID 121596115

2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-ol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

235.13797 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.14525 146.9
[M+Na]+ 258.12719 157.3
[M-H]- 234.13069 153.5
[M+NH4]+ 253.17179 166.8
[M+K]+ 274.10113 157.4
[M+H-H2O]+ 218.13523 142.4
[M+HCOO]- 280.13617 165.7
[M+CH3COO]- 294.15182 189.4
[M+Na-2H]- 256.11264 152.6
[M]+ 235.13742 150.3
[M]- 235.13852 150.3
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

patents stripe