CID 73425357

185804-36-8

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄S

SMILES

CC(C)(C)OC(=O)NCC1=NC=C(S1)C(=O)O

InChI

InChI=1S/C10H14N2O4S/c1-10(2,3)16-9(15)12-5-7-11-4-6(17-7)8(13)14/h4H,5H2,1-3H3,(H,12,15)(H,13,14)

InChIKey

AETOCWDHZXGJII-UHFFFAOYSA-N

Compound name

2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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]+	259.074676	158.5
[M+Na]+	281.056618	165.2
[M-H]-	257.060124	159.8
[M+NH4]+	276.101223	175.4
[M+K]+	297.030558	163.6
[M+H-H2O]+	241.064660	152.5
[M+HCOO]-	303.065601	174.0
[M+CH3COO]-	317.081251	190.8
[M+Na-2H]-	279.042066	158.9
[M]+	258.06685142	162.2
[M]-	258.06794858	162.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe