CID 57920282

1005738-45-3

Structural Information

Molecular Formula
C13H21NO6
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)C(=O)OC
InChI
InChI=1S/C13H21NO6/c1-12(2,3)20-11(18)14-7-5-13(6-8-14,9(15)16)10(17)19-4/h5-8H2,1-4H3,(H,15,16)
InChIKey
MFPPLBPVSINTPM-UHFFFAOYSA-N
Compound name
4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

287.1369 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14418 162.8
[M+Na]+ 310.12612 167.3
[M-H]- 286.12962 163.0
[M+NH4]+ 305.17072 178.3
[M+K]+ 326.10006 168.2
[M+H-H2O]+ 270.13416 158.0
[M+HCOO]- 332.13510 176.4
[M+CH3COO]- 346.15075 195.6
[M+Na-2H]- 308.11157 164.5
[M]+ 287.13635 163.5
[M]- 287.13745 163.5
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