CID 24274661

120237-87-8

Structural Information

Molecular Formula

C₈H₁₂N₂O₂S

SMILES

CCOC(=O)C1=C(N=C(S1)CN)C

InChI

InChI=1S/C8H12N2O2S/c1-3-12-8(11)7-5(2)10-6(4-9)13-7/h3-4,9H2,1-2H3

InChIKey

AQVCYUVTTLBJJD-UHFFFAOYSA-N

Compound name

ethyl 2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 200.06195 Da
Monoisotopic Mass: 0.8
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	142.6
[M+Na]+	223.05117	151.5
[M-H]-	199.05467	145.2
[M+NH4]+	218.09577	162.8
[M+K]+	239.02511	149.4
[M+H-H2O]+	183.05921	136.4
[M+HCOO]-	245.06015	161.5
[M+CH3COO]-	259.07580	184.6
[M+Na-2H]-	221.03662	142.5
[M]+	200.06140	146.0
[M]-	200.06250	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe