CID 3037985

2741-10-8

Structural Information

Molecular Formula

C₈H₁₁N₃S

SMILES

CCNC(=S)NC1=CC=CC=N1

InChI

InChI=1S/C8H11N3S/c1-2-9-8(12)11-7-5-3-4-6-10-7/h3-6H,2H2,1H3,(H2,9,10,11,12)

InChIKey

KBCVITXCIJKUEN-UHFFFAOYSA-N

Compound name

1-ethyl-3-pyridin-2-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 181.06737 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]+	182.07465	137.1
[M+Na]+	204.05659	143.7
[M-H]-	180.06009	139.4
[M+NH4]+	199.10119	155.7
[M+K]+	220.03053	140.4
[M+H-H2O]+	164.06463	130.0
[M+HCOO]-	226.06557	156.5
[M+CH3COO]-	240.08122	183.1
[M+Na-2H]-	202.04204	142.2
[M]+	181.06682	136.2
[M]-	181.06792	136.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe