CID 800073

3-methyl-1-[2-(morpholin-4-yl)ethyl]thiourea

Structural Information

Molecular Formula
C8H17N3OS
SMILES
CNC(=S)NCCN1CCOCC1
InChI
InChI=1S/C8H17N3OS/c1-9-8(13)10-2-3-11-4-6-12-7-5-11/h2-7H2,1H3,(H2,9,10,13)
InChIKey
QFPGFKATIZNPLQ-UHFFFAOYSA-N
Compound name
1-methyl-3-(2-morpholin-4-ylethyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3
Patents

203.10924 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11652 145.8
[M+Na]+ 226.09846 149.2
[M-H]- 202.10196 147.5
[M+NH4]+ 221.14306 161.9
[M+K]+ 242.07240 148.1
[M+H-H2O]+ 186.10650 138.4
[M+HCOO]- 248.10744 160.3
[M+CH3COO]- 262.12309 186.3
[M+Na-2H]- 224.08391 148.8
[M]+ 203.10869 142.6
[M]- 203.10979 142.6
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