CID 91636100

Methyl 5-methyl-2-(pyrrolidin-2-yl)-1,3-thiazole-4-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

CC1=C(N=C(S1)C2CCCN2)C(=O)OC

InChI

InChI=1S/C10H14N2O2S/c1-6-8(10(13)14-2)12-9(15-6)7-4-3-5-11-7/h7,11H,3-5H2,1-2H3

InChIKey

RYRSPEAPFSAOAT-UHFFFAOYSA-N

Compound name

methyl 5-methyl-2-pyrrolidin-2-yl-1,3-thiazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.0776 Da
Monoisotopic Mass: 1.5
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	151.3
[M+Na]+	249.066818	159.4
[M-H]-	225.070324	154.8
[M+NH4]+	244.111423	170.5
[M+K]+	265.040758	157.0
[M+H-H2O]+	209.074860	145.0
[M+HCOO]-	271.075801	166.3
[M+CH3COO]-	285.091451	183.2
[M+Na-2H]-	247.052266	148.2
[M]+	226.07705142	151.8
[M]-	226.07814858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.