CID 2801214

1,3-dipropylthiourea

Structural Information

Molecular Formula

C₇H₁₆N₂S

SMILES

CCCNC(=S)NCCC

InChI

InChI=1S/C7H16N2S/c1-3-5-8-7(10)9-6-4-2/h3-6H2,1-2H3,(H2,8,9,10)

InChIKey

AUXGIIVHLRLBSG-UHFFFAOYSA-N

Compound name

1,3-dipropylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 506
Patents: 160.10342 Da
Monoisotopic Mass: 2.0
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]+	161.11070	137.2
[M+Na]+	183.09264	145.0
[M+NH4]+	178.13724	145.3
[M+K]+	199.06658	137.4
[M-H]-	159.09614	138.0
[M+Na-2H]-	181.07809	140.0
[M]+	160.10287	138.6
[M]-	160.10397	138.6

Literature stripe

literature stripe

Patent stripe

patents stripe