CID 146095528

2411252-57-6

Structural Information

Molecular Formula

C₆H₁₄N₂OS

SMILES

CC1(CNCCS1(=N)=O)C

InChI

InChI=1S/C6H14N2OS/c1-6(2)5-8-3-4-10(6,7)9/h7-8H,3-5H2,1-2H3

InChIKey

ROZBIBMOFQUHTE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 162.08269 Da
Monoisotopic Mass: 0.8
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]+	163.089966	129.7
[M+Na]+	185.071908	137.2
[M-H]-	161.075414	130.6
[M+NH4]+	180.116513	152.5
[M+K]+	201.045848	134.5
[M+H-H2O]+	145.079950	125.7
[M+HCOO]-	207.080891	144.2
[M+CH3COO]-	221.096541	172.9
[M+Na-2H]-	183.057356	135.3
[M]+	162.08214142	125.6
[M]-	162.08323858	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.