CID 60970139

Methyl 2-(thiomorpholin-4-yl)propanoate

Structural Information

Molecular Formula
C8H15NO2S
SMILES
CC(C(=O)OC)N1CCSCC1
InChI
InChI=1S/C8H15NO2S/c1-7(8(10)11-2)9-3-5-12-6-4-9/h7H,3-6H2,1-2H3
InChIKey
YUXNSHLRTABVBP-UHFFFAOYSA-N
Compound name
methyl 2-thiomorpholin-4-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

189.08235 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08963 141.3
[M+Na]+ 212.07157 145.8
[M-H]- 188.07507 142.7
[M+NH4]+ 207.11617 159.7
[M+K]+ 228.04551 145.3
[M+H-H2O]+ 172.07961 134.9
[M+HCOO]- 234.08055 153.9
[M+CH3COO]- 248.09620 180.1
[M+Na-2H]- 210.05702 141.5
[M]+ 189.08180 140.2
[M]- 189.08290 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe