CID 61795481

1803601-97-9

Structural Information

Molecular Formula

C₆H₁₃NO₂S

SMILES

CC1CNCC(S1(=O)=O)C

InChI

InChI=1S/C6H13NO2S/c1-5-3-7-4-6(2)10(5,8)9/h5-7H,3-4H2,1-2H3

InChIKey

IVAHBNJMLRBLJM-UHFFFAOYSA-N

Compound name

2,6-dimethyl-1,4-thiazinane 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 163.0667 Da
Monoisotopic Mass: -0.2
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]+	164.073976	130.1
[M+Na]+	186.055918	138.4
[M-H]-	162.059424	131.2
[M+NH4]+	181.100523	151.5
[M+K]+	202.029858	136.1
[M+H-H2O]+	146.063960	125.7
[M+HCOO]-	208.064901	143.9
[M+CH3COO]-	222.080551	171.5
[M+Na-2H]-	184.041366	133.2
[M]+	163.06615142	128.1
[M]-	163.06724858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe