CID 237774

Tetrahydrothiopyran-4-one oxime

Structural Information

Molecular Formula

SMILES

C1CSCCC1=NO

InChI

InChI=1S/C5H9NOS/c7-6-5-1-3-8-4-2-5/h7H,1-4H2

InChIKey

XWSBAVVPGULZOY-UHFFFAOYSA-N

Compound name

N-(thian-4-ylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 131.04048 Da
Monoisotopic Mass: 0.6
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]+	132.04776	124.5
[M+Na]+	154.02970	134.1
[M+NH4]+	149.07430	134.1
[M+K]+	170.00364	126.4
[M-H]-	130.03320	127.1
[M+Na-2H]-	152.01515	129.8
[M]+	131.03993	126.8
[M]-	131.04103	126.8

Literature stripe

literature stripe

Patent stripe

patents stripe