CID 57415705

N-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)acetamide

Structural Information

Molecular Formula
C13H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CN=C2)NC(=O)C
InChI
InChI=1S/C13H19BN2O3/c1-9(17)16-11-6-10(7-15-8-11)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3,(H,16,17)
InChIKey
ADPVUZOCOXRLMP-UHFFFAOYSA-N
Compound name
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

262.14886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15614 156.0
[M+Na]+ 285.13808 164.6
[M-H]- 261.14158 163.4
[M+NH4]+ 280.18268 174.6
[M+K]+ 301.11202 165.1
[M+H-H2O]+ 245.14612 150.4
[M+HCOO]- 307.14706 176.1
[M+CH3COO]- 321.16271 198.1
[M+Na-2H]- 283.12353 161.4
[M]+ 262.14831 159.0
[M]- 262.14941 159.0
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