CID 58441773

1000800-87-2

Structural Information

Molecular Formula

C₈H₁₁N₃OS

SMILES

CC1(CC2=C(C(=O)N1)SC(=N2)N)C

InChI

InChI=1S/C8H11N3OS/c1-8(2)3-4-5(6(12)11-8)13-7(9)10-4/h3H2,1-2H3,(H2,9,10)(H,11,12)

InChIKey

DVFSEALYRBQCDD-UHFFFAOYSA-N

Compound name

2-amino-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 197.06229 Da
Monoisotopic Mass: 0.9
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]+	198.069566	139.4
[M+Na]+	220.051508	149.6
[M-H]-	196.055014	140.1
[M+NH4]+	215.096113	160.9
[M+K]+	236.025448	145.6
[M+H-H2O]+	180.059550	134.4
[M+HCOO]-	242.060491	153.6
[M+CH3COO]-	256.076141	151.9
[M+Na-2H]-	218.036956	142.2
[M]+	197.06174142	138.0
[M]-	197.06283858	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe