CID 24696719

933749-62-3

Structural Information

Molecular Formula

C₉H₂₁N₃

SMILES

CN(C)CCN1CCC(C1)CN

InChI

InChI=1S/C9H21N3/c1-11(2)5-6-12-4-3-9(7-10)8-12/h9H,3-8,10H2,1-2H3

InChIKey

UGPZYJIYGKMADR-UHFFFAOYSA-N

Compound name

2-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 171.17355 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]+	172.18083	142.0
[M+Na]+	194.16277	146.6
[M-H]-	170.16627	144.4
[M+NH4]+	189.20737	162.7
[M+K]+	210.13671	146.3
[M+H-H2O]+	154.17081	134.7
[M+HCOO]-	216.17175	165.0
[M+CH3COO]-	230.18740	188.5
[M+Na-2H]-	192.14822	144.1
[M]+	171.17300	139.3
[M]-	171.17410	139.3

Literature stripe

literature stripe

Patent stripe

patents stripe