CID 126621017

2168708-69-6

Structural Information

Molecular Formula

C₄H₁₁N₃OS

SMILES

C1CS(=N)(=O)CCN1N

InChI

InChI=1S/C4H11N3OS/c5-7-1-3-9(6,8)4-2-7/h6H,1-5H2

InChIKey

YXBDVBCFPXRDFK-UHFFFAOYSA-N

Compound name

1-imino-1-oxo-1,4-thiazinan-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 149.06229 Da
Monoisotopic Mass: 0.0
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]+	150.06957	125.9
[M+Na]+	172.05151	133.0
[M-H]-	148.05501	127.6
[M+NH4]+	167.09611	147.3
[M+K]+	188.02545	130.8
[M+H-H2O]+	132.05955	120.6
[M+HCOO]-	194.06049	142.9
[M+CH3COO]-	208.07614	174.0
[M+Na-2H]-	170.03696	130.9
[M]+	149.06174	120.6
[M]-	149.06284	120.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe