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

508
Patents

227.13289 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.14017 151.1
[M+Na]+ 250.12211 156.0
[M-H]- 226.12561 150.2
[M+NH4]+ 245.16671 166.6
[M+K]+ 266.09605 155.3
[M+H-H2O]+ 210.13015 145.4
[M+HCOO]- 272.13109 165.4
[M+CH3COO]- 286.14674 183.6
[M+Na-2H]- 248.10756 153.4
[M]+ 227.13234 149.1
[M]- 227.13344 149.1
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