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)-3-pyridinyl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

263.16928 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.176556 155.9
[M+Na]+ 286.158498 164.9
[M-H]- 262.162004 162.1
[M+NH4]+ 281.203103 174.5
[M+K]+ 302.132438 165.2
[M+H-H2O]+ 246.166540 151.5
[M+HCOO]- 308.167481 172.5
[M+CH3COO]- 322.183131 194.6
[M+Na-2H]- 284.143946 162.4
[M]+ 263.16873142 159.1
[M]- 263.16982858 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