CID 768584

2-nitromethylene-piperidine

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1CCNC(=C[N+](=O)[O-])C1

InChI

InChI=1S/C6H10N2O2/c9-8(10)5-6-3-1-2-4-7-6/h5,7H,1-4H2

InChIKey

SKKTZJVNTSSCLS-UHFFFAOYSA-N

Compound name

2-(nitromethylidene)piperidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 40
Patents: 142.07423 Da
Monoisotopic Mass: 1.1
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]+	143.081506	128.6
[M+Na]+	165.063448	133.1
[M-H]-	141.066954	128.7
[M+NH4]+	160.108053	146.9
[M+K]+	181.037388	127.3
[M+H-H2O]+	125.071490	127.2
[M+HCOO]-	187.072431	148.5
[M+CH3COO]-	201.088081	162.7
[M+Na-2H]-	163.048896	135.9
[M]+	142.07368142	119.9
[M]-	142.07477858	119.9

Literature stripe

literature stripe

Patent stripe

patents stripe