CID 1810520

21645-26-1

Structural Information

Molecular Formula

C₈H₁₆N₂S

SMILES

CCN(CC)C(=S)NCC=C

InChI

InChI=1S/C8H16N2S/c1-4-7-9-8(11)10(5-2)6-3/h4H,1,5-7H2,2-3H3,(H,9,11)

InChIKey

QADMBPYDNAHONY-UHFFFAOYSA-N

Compound name

1,1-diethyl-3-prop-2-enylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 122
Patents: 172.10342 Da
Monoisotopic Mass: 1.5
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]+	173.11070	141.7
[M+Na]+	195.09264	149.5
[M+NH4]+	190.13724	149.6
[M+K]+	211.06658	142.1
[M-H]-	171.09614	142.5
[M+Na-2H]-	193.07809	144.4
[M]+	172.10287	143.2
[M]-	172.10397	143.2

Literature stripe

literature stripe

Patent stripe

patents stripe