CID 54962

N,n'-dipropylethylenethiourea

Structural Information

Molecular Formula

C₉H₁₈N₂S

SMILES

CCCN1CCN(C1=S)CCC

InChI

InChI=1S/C9H18N2S/c1-3-5-10-7-8-11(6-4-2)9(10)12/h3-8H2,1-2H3

InChIKey

LYOAKPROVUGMOG-UHFFFAOYSA-N

Compound name

1,3-dipropylimidazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 186.11906 Da
Monoisotopic Mass: 2.2
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]+	187.12634	142.8
[M+Na]+	209.10828	150.8
[M-H]-	185.11178	143.6
[M+NH4]+	204.15288	162.9
[M+K]+	225.08222	148.2
[M+H-H2O]+	169.11632	136.3
[M+HCOO]-	231.11726	157.5
[M+CH3COO]-	245.13291	182.8
[M+Na-2H]-	207.09373	141.5
[M]+	186.11851	144.0
[M]-	186.11961	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe