CID 117745

1-methyl-2-(nitromethylene)pyrrolidine

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

CN1CCCC1=C[N+](=O)[O-]

InChI

InChI=1S/C6H10N2O2/c1-7-4-2-3-6(7)5-8(9)10/h5H,2-4H2,1H3

InChIKey

BJFPEODODUCJLP-UHFFFAOYSA-N

Compound name

1-methyl-2-(nitromethylidene)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 6
Patents: 142.07423 Da
Monoisotopic Mass: 0.9
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]+	143.08151	129.5
[M+Na]+	165.06345	136.3
[M-H]-	141.06695	131.7
[M+NH4]+	160.10805	150.7
[M+K]+	181.03739	131.5
[M+H-H2O]+	125.07149	128.4
[M+HCOO]-	187.07243	153.0
[M+CH3COO]-	201.08808	166.5
[M+Na-2H]-	163.04890	135.4
[M]+	142.07368	125.0
[M]-	142.07478	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe