CID 132081669

2361634-00-4

Structural Information

Molecular Formula

C₄H₁₀N₂OS

SMILES

CS(=N)(=O)C1CNC1

InChI

InChI=1S/C4H10N2OS/c1-8(5,7)4-2-6-3-4/h4-6H,2-3H2,1H3

InChIKey

ONOPSWGUQANVLN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 134.05139 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]+	135.05867	124.1
[M+Na]+	157.04061	129.2
[M-H]-	133.04411	124.7
[M+NH4]+	152.08521	137.2
[M+K]+	173.01455	130.0
[M+H-H2O]+	117.04865	112.7
[M+HCOO]-	179.04959	138.4
[M+CH3COO]-	193.06524	172.0
[M+Na-2H]-	155.02606	128.3
[M]+	134.05084	129.5
[M]-	134.05194	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe