CID 352305

1-(4-nitrophenyl)pyrrolidine

Structural Information

Molecular Formula
C10H12N2O2
SMILES
C1CCN(C1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C10H12N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h3-6H,1-2,7-8H2
InChIKey
IXQSJUBRGIJRCV-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

151
Patents

192.08987 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.09715 140.1
[M+Na]+ 215.07909 152.6
[M+NH4]+ 210.12369 148.9
[M+K]+ 231.05303 150.5
[M-H]- 191.08259 144.6
[M+Na-2H]- 213.06454 147.2
[M]+ 192.08932 142.9
[M]- 192.09042 142.9
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