CID 673715

21709-40-0

Structural Information

Molecular Formula

C₇H₁₁N₃OS

SMILES

CC1=C(SC(=N1)N)C(=O)N(C)C

InChI

InChI=1S/C7H11N3OS/c1-4-5(6(11)10(2)3)12-7(8)9-4/h1-3H3,(H2,8,9)

InChIKey

DVJPMCANMMJVQH-UHFFFAOYSA-N

Compound name

2-amino-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 36
Patents: 185.06229 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]+	186.069566	139.0
[M+Na]+	208.051508	147.7
[M-H]-	184.055014	143.2
[M+NH4]+	203.096113	160.1
[M+K]+	224.025448	146.6
[M+H-H2O]+	168.059550	132.5
[M+HCOO]-	230.060491	159.4
[M+CH3COO]-	244.076141	188.0
[M+Na-2H]-	206.036956	139.1
[M]+	185.06174142	141.1
[M]-	185.06283858	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe