CID 17389965

(1-methylpyrrolidin-3-yl)methanamine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CN1CCC(C1)CN

InChI

InChI=1S/C6H14N2/c1-8-3-2-6(4-7)5-8/h6H,2-5,7H2,1H3

InChIKey

BAOBZCAXECCBQL-UHFFFAOYSA-N

Compound name

(1-methylpyrrolidin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 536
Patents: 114.1157 Da
Monoisotopic Mass: -0.3
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]+	115.122976	124.8
[M+Na]+	137.104918	131.4
[M-H]-	113.108424	126.3
[M+NH4]+	132.149523	147.5
[M+K]+	153.078858	130.5
[M+H-H2O]+	97.112960	118.8
[M+HCOO]-	159.113901	147.2
[M+CH3COO]-	173.129551	171.0
[M+Na-2H]-	135.090366	128.8
[M]+	114.11515142	120.5
[M]-	114.11624858	120.5

Literature stripe

literature stripe

Patent stripe

patents stripe