CID 2760135

111538-46-6

Structural Information

Molecular Formula

C₈H₁₇N₃OS

SMILES

C1COCCN1CCCNC(=S)N

InChI

InChI=1S/C8H17N3OS/c9-8(13)10-2-1-3-11-4-6-12-7-5-11/h1-7H2,(H3,9,10,13)

InChIKey

ZAANQRSELTXKBG-UHFFFAOYSA-N

Compound name

3-morpholin-4-ylpropylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 203.10924 Da
Monoisotopic Mass: -0.4
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]+	204.11652	145.7
[M+Na]+	226.09846	149.0
[M-H]-	202.10196	146.8
[M+NH4]+	221.14306	161.4
[M+K]+	242.07240	147.5
[M+H-H2O]+	186.10650	138.3
[M+HCOO]-	248.10744	159.5
[M+CH3COO]-	262.12309	186.3
[M+Na-2H]-	224.08391	147.7
[M]+	203.10869	141.6
[M]-	203.10979	141.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe