CID 132081753

Imino(methyl)(pyrrolidin-3-yl)-lambda6-sulfanone

Structural Information

Molecular Formula

C₅H₁₂N₂OS

SMILES

CS(=N)(=O)C1CCNC1

InChI

InChI=1S/C5H12N2OS/c1-9(6,8)5-2-3-7-4-5/h5-7H,2-4H2,1H3

InChIKey

GTLFRWSAPDSICK-UHFFFAOYSA-N

Compound name

imino-methyl-oxo-pyrrolidin-3-yl-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 148.06703 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]+	149.07431	130.8
[M+Na]+	171.05625	137.8
[M-H]-	147.05975	131.7
[M+NH4]+	166.10085	152.0
[M+K]+	187.03019	135.2
[M+H-H2O]+	131.06429	125.6
[M+HCOO]-	193.06523	146.4
[M+CH3COO]-	207.08088	169.4
[M+Na-2H]-	169.04170	133.8
[M]+	148.06648	126.8
[M]-	148.06758	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe