CID 688091

64987-05-9

Structural Information

Molecular Formula

C₈H₁₀N₂O₃S

SMILES

CCOC(=O)CC1=CSC(=N1)NC=O

InChI

InChI=1S/C8H10N2O3S/c1-2-13-7(12)3-6-4-14-8(10-6)9-5-11/h4-5H,2-3H2,1H3,(H,9,10,11)

InChIKey

UAGSMUJDTUOTFP-UHFFFAOYSA-N

Compound name

ethyl 2-(2-formamido-1,3-thiazol-4-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 214.04121 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]+	215.04849	147.0
[M+Na]+	237.03043	155.5
[M+NH4]+	232.07503	153.5
[M+K]+	253.00437	150.9
[M-H]-	213.03393	146.7
[M+Na-2H]-	235.01588	150.0
[M]+	214.04066	148.1
[M]-	214.04176	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe