CID 67256930

1257996-76-1

Structural Information

Molecular Formula
C12H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCN(CC2)C(=O)N
InChI
InChI=1S/C12H21BN2O3/c1-11(2)12(3,4)18-13(17-11)9-5-7-15(8-6-9)10(14)16/h5H,6-8H2,1-4H3,(H2,14,16)
InChIKey
OIWFJJHYLZZXQL-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

252.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17180 155.4
[M+Na]+ 275.15374 162.4
[M-H]- 251.15724 161.7
[M+NH4]+ 270.19834 174.1
[M+K]+ 291.12768 163.2
[M+H-H2O]+ 235.16178 150.2
[M+HCOO]- 297.16272 172.3
[M+CH3COO]- 311.17837 195.4
[M+Na-2H]- 273.13919 158.4
[M]+ 252.16397 154.2
[M]- 252.16507 154.2
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