CID 154577214

2418594-46-2

Structural Information

Molecular Formula
C13H23NO6
SMILES
CC(C)(C)OC(=O)N1CC[C@]([C@@H](C1)OC)(C(=O)O)OC
InChI
InChI=1S/C13H23NO6/c1-12(2,3)20-11(17)14-7-6-13(19-5,10(15)16)9(8-14)18-4/h9H,6-8H2,1-5H3,(H,15,16)/t9-,13+/m1/s1
InChIKey
CBNTVKSVGSJTFW-RNCFNFMXSA-N
Compound name
(3R,4S)-3,4-dimethoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.15253 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15981 163.8
[M+Na]+ 312.14175 169.0
[M-H]- 288.14525 164.2
[M+NH4]+ 307.18635 179.5
[M+K]+ 328.11569 170.1
[M+H-H2O]+ 272.14979 158.9
[M+HCOO]- 334.15073 178.1
[M+CH3COO]- 348.16638 197.4
[M+Na-2H]- 310.12720 166.0
[M]+ 289.15198 166.2
[M]- 289.15308 166.2
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

No patent data available for this compound.