CID 1809200

3-amino-1-[3-(morpholin-4-yl)propyl]thiourea

Structural Information

Molecular Formula
C8H18N4OS
SMILES
C1COCCN1CCCNC(=S)NN
InChI
InChI=1S/C8H18N4OS/c9-11-8(14)10-2-1-3-12-4-6-13-7-5-12/h1-7,9H2,(H2,10,11,14)
InChIKey
CDEOWFKHBKXPIO-UHFFFAOYSA-N
Compound name
1-amino-3-(3-morpholin-4-ylpropyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

218.12013 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12741 148.6
[M+Na]+ 241.10935 151.1
[M-H]- 217.11285 149.6
[M+NH4]+ 236.15395 163.3
[M+K]+ 257.08329 149.5
[M+H-H2O]+ 201.11739 140.6
[M+HCOO]- 263.11833 163.4
[M+CH3COO]- 277.13398 190.9
[M+Na-2H]- 239.09480 151.2
[M]+ 218.11958 143.7
[M]- 218.12068 143.7
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

patents stripe