CID 14890235

133192-45-7

Structural Information

Molecular Formula
C15H19NO5
SMILES
COC(=O)[C@@H]1C[C@@H](CCN1C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C15H19NO5/c1-20-14(18)13-9-12(17)7-8-16(13)15(19)21-10-11-5-3-2-4-6-11/h2-6,12-13,17H,7-10H2,1H3/t12-,13+/m1/s1
InChIKey
UZYUNWAMEQIRQH-OLZOCXBDSA-N
Compound name
1-O-benzyl 2-O-methyl (2S,4R)-4-hydroxypiperidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

293.1263 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 166.5
[M+Na]+ 316.11552 170.8
[M-H]- 292.11902 169.7
[M+NH4]+ 311.16012 179.4
[M+K]+ 332.08946 169.2
[M+H-H2O]+ 276.12356 158.3
[M+HCOO]- 338.12450 182.9
[M+CH3COO]- 352.14015 197.1
[M+Na-2H]- 314.10097 167.1
[M]+ 293.12575 165.4
[M]- 293.12685 165.4
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