CID 10199046

71904-80-8

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄S

SMILES

CC(C)(C)OC(=O)NCC1=NC(=CS1)C(=O)O

InChI

InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)11-4-7-12-6(5-17-7)8(13)14/h5H,4H2,1-3H3,(H,11,15)(H,13,14)

InChIKey

RKTDDQLCSYDRLH-UHFFFAOYSA-N

Compound name

2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 115
Patents: 258.0674 Da
Monoisotopic Mass: 1.3
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]+	259.07468	159.2
[M+Na]+	281.05662	165.6
[M+NH4]+	276.10122	164.0
[M+K]+	297.03056	163.5
[M-H]-	257.06012	156.9
[M+Na-2H]-	279.04207	160.4
[M]+	258.06685	159.4
[M]-	258.06795	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe