CID 2822500

Maybridge1_004778

Structural Information

Molecular Formula
C15H17N3O2
SMILES
C1CN(CCC1N2C=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H17N3O2/c19-18(20)15-5-3-13(4-6-15)17-11-7-14(8-12-17)16-9-1-2-10-16/h1-6,9-10,14H,7-8,11-12H2
InChIKey
GEGCXQQZGYLISO-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-4-pyrrol-1-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

271.13208 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.139356 162.0
[M+Na]+ 294.121298 166.2
[M-H]- 270.124804 168.5
[M+NH4]+ 289.165903 175.6
[M+K]+ 310.095238 158.2
[M+H-H2O]+ 254.129340 156.6
[M+HCOO]- 316.130281 182.2
[M+CH3COO]- 330.145931 191.1
[M+Na-2H]- 292.106746 166.3
[M]+ 271.13153142 155.7
[M]- 271.13262858 155.7
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

No patent data available for this compound.