CID 2760134

1-(2-morpholinoethyl)-2-thiourea

Structural Information

Molecular Formula

C₇H₁₅N₃OS

SMILES

C1COCCN1CCNC(=S)N

InChI

InChI=1S/C7H15N3OS/c8-7(12)9-1-2-10-3-5-11-6-4-10/h1-6H2,(H3,8,9,12)

InChIKey

MIVHEVIWHMEELG-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylethylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 121
Patents: 189.09358 Da
Monoisotopic Mass: -0.8
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]+	190.100856	141.4
[M+Na]+	212.082798	145.2
[M-H]-	188.086304	142.7
[M+NH4]+	207.127403	157.7
[M+K]+	228.056738	143.9
[M+H-H2O]+	172.090840	134.2
[M+HCOO]-	234.091781	155.6
[M+CH3COO]-	248.107431	183.3
[M+Na-2H]-	210.068246	143.9
[M]+	189.09303142	136.9
[M]-	189.09412858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe