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

156
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 140.8
[M+Na]+ 215.07909 146.4
[M-H]- 191.08259 146.0
[M+NH4]+ 210.12369 159.5
[M+K]+ 231.05303 140.4
[M+H-H2O]+ 175.08713 138.0
[M+HCOO]- 237.08807 164.3
[M+CH3COO]- 251.10372 175.8
[M+Na-2H]- 213.06454 147.0
[M]+ 192.08932 136.0
[M]- 192.09042 136.0
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