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]+ 266.113536 156.2
[M+Na]+ 288.095478 158.9
[M-H]- 264.098984 160.6
[M+NH4]+ 283.140083 169.3
[M+K]+ 304.069418 153.2
[M+H-H2O]+ 248.103520 152.0
[M+HCOO]- 310.104461 177.4
[M+CH3COO]- 324.120111 189.7
[M+Na-2H]- 286.080926 162.5
[M]+ 265.10571142 150.5
[M]- 265.10680858 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.