CID 4230865

7250-02-4

Structural Information

Molecular Formula

C₈H₁₅N₃OS

SMILES

C=CCNC(=S)NN1CCOCC1

InChI

InChI=1S/C8H15N3OS/c1-2-3-9-8(13)10-11-4-6-12-7-5-11/h2H,1,3-7H2,(H2,9,10,13)

InChIKey

MZANDQOBAWDXBP-UHFFFAOYSA-N

Compound name

1-morpholin-4-yl-3-prop-2-enylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 201.09358 Da
Monoisotopic Mass: 0.5
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]+	202.100856	145.1
[M+Na]+	224.082798	148.7
[M-H]-	200.086304	146.8
[M+NH4]+	219.127403	161.1
[M+K]+	240.056738	147.0
[M+H-H2O]+	184.090840	137.7
[M+HCOO]-	246.091781	159.7
[M+CH3COO]-	260.107431	185.4
[M+Na-2H]-	222.068246	148.0
[M]+	201.09303142	141.2
[M]-	201.09412858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe