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

2
Patents

189.08235 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.089626 141.3
[M+Na]+ 212.071568 145.8
[M-H]- 188.075074 142.7
[M+NH4]+ 207.116173 159.7
[M+K]+ 228.045508 145.3
[M+H-H2O]+ 172.079610 134.9
[M+HCOO]- 234.080551 153.9
[M+CH3COO]- 248.096201 180.1
[M+Na-2H]- 210.057016 141.5
[M]+ 189.08180142 140.2
[M]- 189.08289858 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