CID 45489883

N,n,3-trimethylpyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CC1(CCNC1)N(C)C

InChI

InChI=1S/C7H16N2/c1-7(9(2)3)4-5-8-6-7/h8H,4-6H2,1-3H3

InChIKey

BHGAPHJDUGWGCK-UHFFFAOYSA-N

Compound name

N,N,3-trimethylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 128.13135 Da
Monoisotopic Mass: 0.2
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]+	129.13863	129.4
[M+Na]+	151.12057	138.1
[M+NH4]+	146.16517	139.4
[M+K]+	167.09451	132.9
[M-H]-	127.12407	130.7
[M+Na-2H]-	149.10602	135.3
[M]+	128.13080	130.8
[M]-	128.13190	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe