CID 71756728

N,n-dimethyl-4-(methylsulfanyl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₇H₁₆N₂S

SMILES

CN(C)C1CNCC1SC

InChI

InChI=1S/C7H16N2S/c1-9(2)6-4-8-5-7(6)10-3/h6-8H,4-5H2,1-3H3

InChIKey

GZXRMSQJHZBCEH-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 160.10342 Da
Monoisotopic Mass: 0.4
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]+	161.110696	135.7
[M+Na]+	183.092638	142.0
[M-H]-	159.096144	137.9
[M+NH4]+	178.137243	157.5
[M+K]+	199.066578	140.9
[M+H-H2O]+	143.100680	129.7
[M+HCOO]-	205.101621	152.1
[M+CH3COO]-	219.117271	179.4
[M+Na-2H]-	181.078086	135.7
[M]+	160.10287142	134.6
[M]-	160.10396858	134.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.