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: 543
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]+	115.12298	124.4
[M+Na]+	137.10492	133.6
[M+NH4]+	132.14952	133.2
[M+K]+	153.07886	130.0
[M-H]-	113.10842	125.8
[M+Na-2H]-	135.09037	128.7
[M]+	114.11515	125.8
[M]-	114.11625	125.8

Literature stripe

literature stripe

Patent stripe

patents stripe