CID 71306224

1253281-38-7

Structural Information

Molecular Formula

C₆H₆N₂O₂S

SMILES

C1C2=C(C(=O)CO1)SC(=N2)N

InChI

InChI=1S/C6H6N2O2S/c7-6-8-3-1-10-2-4(9)5(3)11-6/h1-2H2,(H2,7,8)

InChIKey

KVDYIWNULHDGSJ-UHFFFAOYSA-N

Compound name

2-amino-4H-pyrano[3,4-d][1,3]thiazol-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 170.015 Da
Monoisotopic Mass: 0.2
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]+	171.02228	129.8
[M+Na]+	193.00422	139.6
[M-H]-	169.00772	133.8
[M+NH4]+	188.04882	150.9
[M+K]+	208.97816	138.3
[M+H-H2O]+	153.01226	124.7
[M+HCOO]-	215.01320	147.0
[M+CH3COO]-	229.02885	143.9
[M+Na-2H]-	190.98967	134.2
[M]+	170.01445	130.2
[M]-	170.01555	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe