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]+	148.07908	128.7
[M+Na]+	170.06102	136.1
[M-H]-	146.06452	129.6
[M+NH4]+	165.10562	149.0
[M+K]+	186.03496	133.6
[M+H-H2O]+	130.06906	123.5
[M+HCOO]-	192.07000	142.2
[M+CH3COO]-	206.08565	170.7
[M+Na-2H]-	168.04647	130.2
[M]+	147.07125	125.6
[M]-	147.07235	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe