CID 1810520

Thiourea, n,n-diethyl-n'-2-propen-1-yl-

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: 169
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]+	173.110696	140.3
[M+Na]+	195.092638	145.5
[M-H]-	171.096144	141.8
[M+NH4]+	190.137243	161.3
[M+K]+	211.066578	144.1
[M+H-H2O]+	155.100680	134.2
[M+HCOO]-	217.101621	159.5
[M+CH3COO]-	231.117271	187.9
[M+Na-2H]-	193.078086	141.4
[M]+	172.10287142	141.7
[M]-	172.10396858	141.7

Literature stripe

literature stripe

Patent stripe

patents stripe