CID 664919

345955-48-8

Structural Information

Molecular Formula
C13H22N2O5
SMILES
CC(C)(C)OC(=O)NCC(=O)N1CCC(CC1)C(=O)O
InChI
InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-8-10(16)15-6-4-9(5-7-15)11(17)18/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)
InChIKey
ULZRHGGXRMHKJW-UHFFFAOYSA-N
Compound name
1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

10
Patents

286.15286 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16014 165.8
[M+Na]+ 309.14208 168.5
[M-H]- 285.14558 165.6
[M+NH4]+ 304.18668 178.9
[M+K]+ 325.11602 168.4
[M+H-H2O]+ 269.15012 159.3
[M+HCOO]- 331.15106 180.1
[M+CH3COO]- 345.16671 199.1
[M+Na-2H]- 307.12753 166.0
[M]+ 286.15231 163.7
[M]- 286.15341 163.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe