CID 2756770

302963-94-6

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄S

SMILES

CC1=C(SC(=N1)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C10H14N2O4S/c1-5-6(7(13)14)17-8(11-5)12-9(15)16-10(2,3)4/h1-4H3,(H,13,14)(H,11,12,15)

InChIKey

FHNRXEYKJBDNKP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 91
Patents: 258.0674 Da
Monoisotopic Mass: 2.1
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	157.9
[M+Na]+	281.056618	165.4
[M-H]-	257.060124	159.6
[M+NH4]+	276.101223	175.1
[M+K]+	297.030558	163.8
[M+H-H2O]+	241.064660	152.2
[M+HCOO]-	303.065601	173.4
[M+CH3COO]-	317.081251	192.0
[M+Na-2H]-	279.042066	157.7
[M]+	258.06685142	162.0
[M]-	258.06794858	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe