CID 3153353

Dtxsid70390021

Structural Information

Molecular Formula

C₅H₆N₂O₃S

SMILES

C1C(SC(=NC1=O)N)C(=O)O

InChI

InChI=1S/C5H6N2O3S/c6-5-7-3(8)1-2(11-5)4(9)10/h2H,1H2,(H,9,10)(H2,6,7,8)

InChIKey

VVWUMKXFIHHFOT-UHFFFAOYSA-N

Compound name

2-amino-4-oxo-5,6-dihydro-1,3-thiazine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 174.00992 Da
Monoisotopic Mass: -0.7
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]+	175.017196	132.1
[M+Na]+	196.999138	139.8
[M-H]-	173.002644	132.9
[M+NH4]+	192.043743	150.2
[M+K]+	212.973078	137.4
[M+H-H2O]+	157.007180	126.3
[M+HCOO]-	219.008121	147.3
[M+CH3COO]-	233.023771	175.8
[M+Na-2H]-	194.984586	133.7
[M]+	174.00937142	129.8
[M]-	174.01046858	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.