CID 15595853

3-methylpyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂

SMILES

CC1(CCNC1)N

InChI

InChI=1S/C5H12N2/c1-5(6)2-3-7-4-5/h7H,2-4,6H2,1H3

InChIKey

WGOWOSXVPSBDEY-UHFFFAOYSA-N

Compound name

3-methylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 107
Patents: 100.10005 Da
Monoisotopic Mass: -0.8
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]+	101.10733	120.4
[M+Na]+	123.08927	126.9
[M-H]-	99.092774	120.6
[M+NH4]+	118.13387	144.6
[M+K]+	139.06321	125.5
[M+H-H2O]+	83.097310	115.4
[M+HCOO]-	145.09825	141.6
[M+CH3COO]-	159.11390	163.7
[M+Na-2H]-	121.07472	126.3
[M]+	100.09950	113.7
[M]-	100.10060	113.7

Literature stripe

literature stripe

Patent stripe

patents stripe