CID 64723673

1342010-48-3

Structural Information

Molecular Formula

SMILES

CS(=O)C1CCC(C1)N

InChI

InChI=1S/C6H13NOS/c1-9(8)6-3-2-5(7)4-6/h5-6H,2-4,7H2,1H3

InChIKey

AIVKCNFJIKAVPE-UHFFFAOYSA-N

Compound name

3-methylsulfinylcyclopentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 147.0718 Da
Monoisotopic Mass: -0.7
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]+	148.07908	130.9
[M+Na]+	170.06102	137.7
[M-H]-	146.06452	134.0
[M+NH4]+	165.10562	154.0
[M+K]+	186.03496	136.2
[M+H-H2O]+	130.06906	125.8
[M+HCOO]-	192.07000	148.4
[M+CH3COO]-	206.08565	174.2
[M+Na-2H]-	168.04647	130.4
[M]+	147.07125	128.5
[M]-	147.07235	128.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.