CID 53398528

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

Structural Information

Molecular Formula
C14H22BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)C(C)(C)O
InChI
InChI=1S/C14H22BNO3/c1-12(2,17)10-7-11(9-16-8-10)15-18-13(3,4)14(5,6)19-15/h7-9,17H,1-6H3
InChIKey
FIWGJYZBBBBXPY-UHFFFAOYSA-N
Compound name
2-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
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 162.1
[M+NH4]+ 281.20310 174.5
[M+K]+ 302.13244 165.2
[M+H-H2O]+ 246.16654 151.5
[M+HCOO]- 308.16748 172.5
[M+CH3COO]- 322.18313 194.6
[M+Na-2H]- 284.14395 162.4
[M]+ 263.16873 159.1
[M]- 263.16983 159.1
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