CID 468653

Chembl3091656

Structural Information

Molecular Formula

C₈H₁₀N₂OS

SMILES

CC(=NNC(=O)C1=CC=CS1)C

InChI

InChI=1S/C8H10N2OS/c1-6(2)9-10-8(11)7-4-3-5-12-7/h3-5H,1-2H3,(H,10,11)

InChIKey

PCGRGFIOESCTGK-UHFFFAOYSA-N

Compound name

N-(propan-2-ylideneamino)thiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 182.05139 Da
Monoisotopic Mass: 1.4
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]+	183.05867	140.0
[M+Na]+	205.04061	146.8
[M-H]-	181.04411	145.3
[M+NH4]+	200.08521	162.1
[M+K]+	221.01455	145.4
[M+H-H2O]+	165.04865	133.5
[M+HCOO]-	227.04959	162.1
[M+CH3COO]-	241.06524	185.1
[M+Na-2H]-	203.02606	141.8
[M]+	182.05084	141.4
[M]-	182.05194	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe