CID 380238

Nsc665717

Structural Information

Molecular Formula
C13H18N2O4
SMILES
C1CC(=O)NC(=O)C1C(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C13H18N2O4/c16-11-2-1-9(12(17)14-11)13(18)19-10-7-15-5-3-8(10)4-6-15/h8-10H,1-7H2,(H,14,16,17)
InChIKey
QWRGHJSIHLJOFQ-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2,6-dioxopiperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 156.4
[M+Na]+ 289.11587 158.4
[M-H]- 265.11937 151.1
[M+NH4]+ 284.16047 173.3
[M+K]+ 305.08981 155.9
[M+H-H2O]+ 249.12391 149.4
[M+HCOO]- 311.12485 160.3
[M+CH3COO]- 325.14050 163.6
[M+Na-2H]- 287.10132 162.8
[M]+ 266.12610 153.3
[M]- 266.12720 153.3
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.