CID 66244334

1803594-06-0

Structural Information

Molecular Formula

SMILES

CC1CNCC(S1=O)C

InChI

InChI=1S/C6H13NOS/c1-5-3-7-4-6(2)9(5)8/h5-7H,3-4H2,1-2H3

InChIKey

OLIXMODZQVKARI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 147.0718 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]+	148.079076	128.7
[M+Na]+	170.061018	136.1
[M-H]-	146.064524	129.6
[M+NH4]+	165.105623	149.0
[M+K]+	186.034958	133.6
[M+H-H2O]+	130.069060	123.5
[M+HCOO]-	192.070001	142.2
[M+CH3COO]-	206.085651	170.7
[M+Na-2H]-	168.046466	130.2
[M]+	147.07125142	125.6
[M]-	147.07234858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe