CID 2728808

Ns00016002

Structural Information

Molecular Formula
C9H18N4OS
SMILES
CCCNC(=S)N=C(N)N1CCOCC1
InChI
InChI=1S/C9H18N4OS/c1-2-3-11-9(15)12-8(10)13-4-6-14-7-5-13/h2-7H2,1H3,(H3,10,11,12,15)
InChIKey
OMJYISDGOAYSKO-UHFFFAOYSA-N
Compound name
1-[amino(morpholin-4-yl)methylidene]-3-propylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

230.12013 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.127406 154.2
[M+Na]+ 253.109348 156.9
[M-H]- 229.112854 156.6
[M+NH4]+ 248.153953 169.2
[M+K]+ 269.083288 155.8
[M+H-H2O]+ 213.117390 146.0
[M+HCOO]- 275.118331 169.3
[M+CH3COO]- 289.133981 195.0
[M+Na-2H]- 251.094796 155.5
[M]+ 230.11958142 150.0
[M]- 230.12067858 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.