CID 124513

3-nitrophenyl 3-piperidinecarboxylate

Structural Information

Molecular Formula
C12H14N2O4
SMILES
C1CC(CNC1)C(=O)OC2=CC=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H14N2O4/c15-12(9-3-2-6-13-8-9)18-11-5-1-4-10(7-11)14(16)17/h1,4-5,7,9,13H,2-3,6,8H2
InChIKey
MUVROTJILUATRW-UHFFFAOYSA-N
Compound name
(3-nitrophenyl) piperidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

250.09535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10263 153.7
[M+Na]+ 273.08457 156.9
[M-H]- 249.08807 156.8
[M+NH4]+ 268.12917 167.1
[M+K]+ 289.05851 150.4
[M+H-H2O]+ 233.09261 150.2
[M+HCOO]- 295.09355 172.4
[M+CH3COO]- 309.10920 182.8
[M+Na-2H]- 271.07002 159.0
[M]+ 250.09480 147.1
[M]- 250.09590 147.1
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