CID 54208257

32989-69-8

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

C1CCN(C1)C=CC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O2/c15-14(16)12-6-2-1-5-11(12)7-10-13-8-3-4-9-13/h1-2,5-7,10H,3-4,8-9H2

InChIKey

PUBVPFSOLOXTIV-UHFFFAOYSA-N

Compound name

1-[2-(2-nitrophenyl)ethenyl]pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 218.10553 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.112806	149.8
[M+Na]+	241.094748	154.9
[M-H]-	217.098254	154.6
[M+NH4]+	236.139353	167.4
[M+K]+	257.068688	147.7
[M+H-H2O]+	201.102790	146.7
[M+HCOO]-	263.103731	172.7
[M+CH3COO]-	277.119381	180.2
[M+Na-2H]-	239.080196	154.8
[M]+	218.10498142	144.9
[M]-	218.10607858	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe