CID 3153353

2-imino-4-oxo-1,3-thiazinane-6-carboxylic acid

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.01720 132.1
[M+Na]+ 196.99914 139.8
[M-H]- 173.00264 132.9
[M+NH4]+ 192.04374 150.2
[M+K]+ 212.97308 137.4
[M+H-H2O]+ 157.00718 126.3
[M+HCOO]- 219.00812 147.3
[M+CH3COO]- 233.02377 175.8
[M+Na-2H]- 194.98459 133.7
[M]+ 174.00937 129.8
[M]- 174.01047 129.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.