CID 137943394

2260932-00-9

Structural Information

Molecular Formula

C₆H₁₁NO₃S

SMILES

C1CS(=N)(=O)CC12OCCO2

InChI

InChI=1S/C6H11NO3S/c7-11(8)4-1-6(5-11)9-2-3-10-6/h7H,1-5H2

InChIKey

FZODRUJTXQEUOC-UHFFFAOYSA-N

Compound name

7-imino-1,4-dioxa-7lambda6-thiaspiro[4.4]nonane 7-oxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 177.04596 Da
Monoisotopic Mass: 0.5
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]+	178.053236	131.2
[M+Na]+	200.035178	139.6
[M-H]-	176.038684	138.3
[M+NH4]+	195.079783	156.4
[M+K]+	216.009118	140.5
[M+H-H2O]+	160.043220	128.8
[M+HCOO]-	222.044161	149.1
[M+CH3COO]-	236.059811	145.7
[M+Na-2H]-	198.020626	137.6
[M]+	177.04541142	130.8
[M]-	177.04650858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.