CID 11196951

534572-20-8

Structural Information

Molecular Formula
C13H21NO6
SMILES
CC(C)(C)OC(=O)N1C[C@@H](C[C@@H](C1)C(=O)OC)C(=O)O
InChI
InChI=1S/C13H21NO6/c1-13(2,3)20-12(18)14-6-8(10(15)16)5-9(7-14)11(17)19-4/h8-9H,5-7H2,1-4H3,(H,15,16)/t8-,9+/m1/s1
InChIKey
DYLHJFCOKNLATM-BDAKNGLRSA-N
Compound name
(3R,5S)-5-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

287.1369 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14418 163.7
[M+Na]+ 310.12612 170.0
[M+NH4]+ 305.17072 167.0
[M+K]+ 326.10006 169.4
[M-H]- 286.12962 159.9
[M+Na-2H]- 308.11157 163.2
[M]+ 287.13635 162.9
[M]- 287.13745 162.9
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