CID 4351425

Piperidino n-(3-nitrophenyl)carbamate

Structural Information

Molecular Formula
C12H15N3O4
SMILES
C1CCN(CC1)OC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H15N3O4/c16-12(19-14-7-2-1-3-8-14)13-10-5-4-6-11(9-10)15(17)18/h4-6,9H,1-3,7-8H2,(H,13,16)
InChIKey
FPKNSIIDHIULRJ-UHFFFAOYSA-N
Compound name
piperidin-1-yl N-(3-nitrophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.10626 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11354 156.2
[M+Na]+ 288.09548 158.9
[M-H]- 264.09898 160.6
[M+NH4]+ 283.14008 169.3
[M+K]+ 304.06942 153.2
[M+H-H2O]+ 248.10352 152.0
[M+HCOO]- 310.10446 177.4
[M+CH3COO]- 324.12011 189.7
[M+Na-2H]- 286.08093 162.5
[M]+ 265.10571 150.5
[M]- 265.10681 150.5
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.