CID 214056

Brn 0910790

Structural Information

Molecular Formula

C₉H₁₂N₂OS

SMILES

CC1=CC(=C(S1)C)NC2=NCCO2

InChI

InChI=1S/C9H12N2OS/c1-6-5-8(7(2)13-6)11-9-10-3-4-12-9/h5H,3-4H2,1-2H3,(H,10,11)

InChIKey

CUHJEDOGFCLFAS-UHFFFAOYSA-N

Compound name

N-(2,5-dimethylthiophen-3-yl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 196.06703 Da
Monoisotopic Mass: 1.7
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]+	197.074306	141.1
[M+Na]+	219.056248	150.7
[M-H]-	195.059754	148.4
[M+NH4]+	214.100853	162.4
[M+K]+	235.030188	149.4
[M+H-H2O]+	179.064290	135.4
[M+HCOO]-	241.065231	161.5
[M+CH3COO]-	255.080881	155.5
[M+Na-2H]-	217.041696	142.4
[M]+	196.06648142	143.7
[M]-	196.06757858	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe