CID 93785

57734-58-4

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₂

SMILES

C1CC(=C[N+](=O)[O-])N(C1)CC2=CC=CC=C2

InChI

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

InChIKey

QGRRJDFZPVWRGG-UHFFFAOYSA-N

Compound name

1-benzyl-2-(nitromethylidene)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 218.10553 Da
Monoisotopic Mass: 2.4
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]+	219.11281	149.8
[M+Na]+	241.09475	154.9
[M-H]-	217.09825	154.6
[M+NH4]+	236.13935	167.4
[M+K]+	257.06869	147.7
[M+H-H2O]+	201.10279	146.7
[M+HCOO]-	263.10373	172.7
[M+CH3COO]-	277.11938	180.2
[M+Na-2H]-	239.08020	154.8
[M]+	218.10498	144.9
[M]-	218.10608	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe