CID 2758022

1-decyl-2-thiourea

Structural Information

Molecular Formula

C₁₁H₂₄N₂S

SMILES

CCCCCCCCCCNC(=S)N

InChI

InChI=1S/C11H24N2S/c1-2-3-4-5-6-7-8-9-10-13-11(12)14/h2-10H2,1H3,(H3,12,13,14)

InChIKey

GSNUNTMZZWSJCW-UHFFFAOYSA-N

Compound name

decylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 216.16602 Da
Monoisotopic Mass: 4.1
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]+	217.17330	153.7
[M+Na]+	239.15524	157.1
[M-H]-	215.15874	152.4
[M+NH4]+	234.19984	171.9
[M+K]+	255.12918	153.7
[M+H-H2O]+	199.16328	147.1
[M+HCOO]-	261.16422	170.7
[M+CH3COO]-	275.17987	194.4
[M+Na-2H]-	237.14069	153.1
[M]+	216.16547	154.7
[M]-	216.16657	154.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe