CID 1712702

Einecs 247-494-6

Structural Information

Molecular Formula

C₇H₁₂N₂O₂

SMILES

CCN\1CCC/C1=C/[N+](=O)[O-]

InChI

InChI=1S/C7H12N2O2/c1-2-8-5-3-4-7(8)6-9(10)11/h6H,2-5H2,1H3/b7-6-

InChIKey

MSXAUUYIGJZVTR-SREVYHEPSA-N

Compound name

(2Z)-1-ethyl-2-(nitromethylidene)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 29
Patents: 156.08987 Da
Monoisotopic Mass: 1.2
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]+	157.09715	133.1
[M+Na]+	179.07909	143.4
[M+NH4]+	174.12369	140.9
[M+K]+	195.05303	142.2
[M-H]-	155.08259	134.6
[M+Na-2H]-	177.06454	136.6
[M]+	156.08932	134.5
[M]-	156.09042	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe