CID 137952388

2193064-76-3

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)NCC1CC(CNC1)C(=O)OC
InChI
InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-7-9-5-10(8-14-6-9)11(16)18-4/h9-10,14H,5-8H2,1-4H3,(H,15,17)
InChIKey
MQEQDJHUAHRALO-UHFFFAOYSA-N
Compound name
methyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 165.5
[M+Na]+ 295.16282 168.3
[M-H]- 271.16632 165.2
[M+NH4]+ 290.20742 179.4
[M+K]+ 311.13676 167.6
[M+H-H2O]+ 255.17086 158.9
[M+HCOO]- 317.17180 180.4
[M+CH3COO]- 331.18745 196.7
[M+Na-2H]- 293.14827 166.6
[M]+ 272.17305 163.2
[M]- 272.17415 163.2
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.