CID 132312644

2126177-06-6

Structural Information

Molecular Formula
C13H22N2O5
SMILES
CC(C)(C)OC(=O)NCCN1CCCC(C1=O)C(=O)O
InChI
InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-6-8-15-7-4-5-9(10(15)16)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKey
RRUHRBBZJQFVPQ-UHFFFAOYSA-N
Compound name
1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-oxopiperidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.15286 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.160136 165.7
[M+Na]+ 309.142078 169.4
[M-H]- 285.145584 165.7
[M+NH4]+ 304.186683 179.0
[M+K]+ 325.116018 168.8
[M+H-H2O]+ 269.150120 159.2
[M+HCOO]- 331.151061 180.9
[M+CH3COO]- 345.166711 200.1
[M+Na-2H]- 307.127526 166.3
[M]+ 286.15231142 164.6
[M]- 286.15340858 164.6
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.