CID 155859188

2567792-04-3

Structural Information

Molecular Formula

SMILES

CC(C)(C)ON=S=O

InChI

InChI=1S/C4H9NO2S/c1-4(2,3)7-5-8-6/h1-3H3

InChIKey

QNDHWAYLAJVRCB-UHFFFAOYSA-N

Compound name

2-methyl-2-(sulfinylamino)oxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 135.0354 Da
Monoisotopic Mass: 2.2
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]+	136.042676	124.9
[M+Na]+	158.024618	133.5
[M-H]-	134.028124	127.4
[M+NH4]+	153.069223	147.9
[M+K]+	173.998558	133.5
[M+H-H2O]+	118.032660	120.2
[M+HCOO]-	180.033601	145.6
[M+CH3COO]-	194.049251	173.6
[M+Na-2H]-	156.010066	130.8
[M]+	135.03485142	129.3
[M]-	135.03594858	129.3

Literature stripe

literature stripe

Patent stripe

patents stripe