CID 21931462

844501-00-4

Structural Information

Molecular Formula
C10H18BNO4
SMILES
B(C1=CCN(CC1)C(=O)OC(C)(C)C)(O)O
InChI
InChI=1S/C10H18BNO4/c1-10(2,3)16-9(13)12-6-4-8(5-7-12)11(14)15/h4,14-15H,5-7H2,1-3H3
InChIKey
WHYUAGZAHLUISP-UHFFFAOYSA-N
Compound name
[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]boronic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

431
Patents

227.13289 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14017 150.9
[M+Na]+ 250.12211 158.9
[M+NH4]+ 245.16671 156.1
[M+K]+ 266.09605 156.8
[M-H]- 226.12561 148.6
[M+Na-2H]- 248.10756 152.8
[M]+ 227.13234 150.9
[M]- 227.13344 150.9
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