CID 75449176

Methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

COC(=O)C1=C(N=C(S1)N)C2CCCC2

InChI

InChI=1S/C10H14N2O2S/c1-14-9(13)8-7(12-10(11)15-8)6-4-2-3-5-6/h6H,2-5H2,1H3,(H2,11,12)

InChIKey

IECJHQIWEWZCJR-UHFFFAOYSA-N

Compound name

methyl 2-amino-4-cyclopentyl-1,3-thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.0776 Da
Monoisotopic Mass: 2.5
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]+	227.084876	150.9
[M+Na]+	249.066818	158.5
[M-H]-	225.070324	156.6
[M+NH4]+	244.111423	171.5
[M+K]+	265.040758	156.4
[M+H-H2O]+	209.074860	144.7
[M+HCOO]-	271.075801	169.0
[M+CH3COO]-	285.091451	187.2
[M+Na-2H]-	247.052266	148.2
[M]+	226.07705142	151.0
[M]-	226.07814858	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.