CID 12448966

1-methylpyrrolidin-2-imine hydrochloride

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

CN1CCCC1=N

InChI

InChI=1S/C5H10N2/c1-7-4-2-3-5(7)6/h6H,2-4H2,1H3

InChIKey

KGVDKNYFTLFECV-UHFFFAOYSA-N

Compound name

1-methylpyrrolidin-2-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 98.0844 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]+	99.091676	119.6
[M+Na]+	121.07362	129.3
[M+NH4]+	116.11822	128.4
[M+K]+	137.04756	125.5
[M-H]-	97.077124	121.0
[M+Na-2H]-	119.05907	124.5
[M]+	98.083851	121.0
[M]-	98.084949	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe