CID 17750255

1073372-02-7

Structural Information

Molecular Formula
C13H19BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NC(=O)OC
InChI
InChI=1S/C13H19BN2O4/c1-12(2)13(3,4)20-14(19-12)9-6-7-10(15-8-9)16-11(17)18-5/h6-8H,1-5H3,(H,15,16,17)
InChIKey
QDYHEIDRTYYVQI-UHFFFAOYSA-N
Compound name
methyl N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

278.1438 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15108 159.0
[M+Na]+ 301.13302 167.5
[M-H]- 277.13652 166.4
[M+NH4]+ 296.17762 177.0
[M+K]+ 317.10696 168.7
[M+H-H2O]+ 261.14106 153.4
[M+HCOO]- 323.14200 179.3
[M+CH3COO]- 337.15765 199.7
[M+Na-2H]- 299.11847 164.6
[M]+ 278.14325 163.4
[M]- 278.14435 163.4
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