CID 4962323

106860-34-8

Structural Information

Molecular Formula

C₇H₁₀N₂OS

SMILES

C1=CSC(=C1)CCNC(=O)N

InChI

InChI=1S/C7H10N2OS/c8-7(10)9-4-3-6-2-1-5-11-6/h1-2,5H,3-4H2,(H3,8,9,10)

InChIKey

OPFZOWWTCYPZND-UHFFFAOYSA-N

Compound name

2-thiophen-2-ylethylurea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 67
Patents: 170.05139 Da
Monoisotopic Mass: 0.7
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]+	171.05867	135.2
[M+Na]+	193.04061	141.9
[M-H]-	169.04411	138.5
[M+NH4]+	188.08521	156.8
[M+K]+	209.01455	139.5
[M+H-H2O]+	153.04865	129.0
[M+HCOO]-	215.04959	156.4
[M+CH3COO]-	229.06524	179.6
[M+Na-2H]-	191.02606	137.3
[M]+	170.05084	134.7
[M]-	170.05194	134.7

Literature stripe

literature stripe

Patent stripe

patents stripe