CID 13600392

92523-32-5

Structural Information

Molecular Formula

SMILES

CCS(=N)(=O)CC

InChI

InChI=1S/C4H11NOS/c1-3-7(5,6)4-2/h5H,3-4H2,1-2H3

InChIKey

APAXYIMCLKHPKO-UHFFFAOYSA-N

Compound name

diethyl-imino-oxo-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 86
Patents: 121.05614 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]+	122.063416	122.2
[M+Na]+	144.045358	130.3
[M-H]-	120.048864	123.1
[M+NH4]+	139.089963	145.0
[M+K]+	160.019298	128.9
[M+H-H2O]+	104.053400	117.9
[M+HCOO]-	166.054341	141.1
[M+CH3COO]-	180.069991	170.3
[M+Na-2H]-	142.030806	127.4
[M]+	121.05559142	123.4
[M]-	121.05668858	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe