CID 737584

81569-25-7

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

CC(C)C1=C(N=C(S1)N)C(=O)OC

InChI

InChI=1S/C8H12N2O2S/c1-4(2)6-5(7(11)12-3)10-8(9)13-6/h4H,1-3H3,(H2,9,10)

InChIKey

YEJDFNBFDCUMAG-UHFFFAOYSA-N

Compound name

methyl 2-amino-5-propan-2-yl-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 133
Patents: 200.06195 Da
Monoisotopic Mass: 2.0
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]+	201.06923	144.3
[M+Na]+	223.05117	153.1
[M+NH4]+	218.09577	151.4
[M+K]+	239.02511	149.3
[M-H]-	199.05467	144.5
[M+Na-2H]-	221.03662	146.9
[M]+	200.06140	145.7
[M]-	200.06250	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe