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]+ 287.16014 165.7
[M+Na]+ 309.14208 169.4
[M-H]- 285.14558 165.7
[M+NH4]+ 304.18668 179.0
[M+K]+ 325.11602 168.8
[M+H-H2O]+ 269.15012 159.2
[M+HCOO]- 331.15106 180.9
[M+CH3COO]- 345.16671 200.1
[M+Na-2H]- 307.12753 166.3
[M]+ 286.15231 164.6
[M]- 286.15341 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.