CID 23143296

[2-(pyridin-2-yl)ethyl]thiourea

Structural Information

Molecular Formula

C₈H₁₁N₃S

SMILES

C1=CC=NC(=C1)CCNC(=S)N

InChI

InChI=1S/C8H11N3S/c9-8(12)11-6-4-7-3-1-2-5-10-7/h1-3,5H,4,6H2,(H3,9,11,12)

InChIKey

LDLXTZMRWVQZJV-UHFFFAOYSA-N

Compound name

2-pyridin-2-ylethylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 181.06737 Da
Monoisotopic Mass: 0.1
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]+	182.074646	137.0
[M+Na]+	204.056588	143.6
[M-H]-	180.060094	138.7
[M+NH4]+	199.101193	155.2
[M+K]+	220.030528	139.9
[M+H-H2O]+	164.064630	130.0
[M+HCOO]-	226.065571	155.8
[M+CH3COO]-	240.081221	183.1
[M+Na-2H]-	202.042036	141.1
[M]+	181.06682142	135.2
[M]-	181.06791858	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe