CID 10866285

1-methylpyrrolidine-3-carbonitrile

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CN1CCC(C1)C#N

InChI

InChI=1S/C6H10N2/c1-8-3-2-6(4-7)5-8/h6H,2-3,5H2,1H3

InChIKey

QXYSYYCPALRMRV-UHFFFAOYSA-N

Compound name

1-methylpyrrolidine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 90
Patents: 110.0844 Da
Monoisotopic Mass: 0.1
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]+	111.09168	123.8
[M+Na]+	133.07362	134.0
[M+NH4]+	128.11822	129.2
[M+K]+	149.04756	126.8
[M-H]-	109.07712	117.7
[M+Na-2H]-	131.05907	126.4
[M]+	110.08385	122.5
[M]-	110.08495	122.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe