CID 18345630

Methyl (3s)-2,2-dimethylthiomorpholine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C8H15NO2S
SMILES
CC1([C@@H](NCCS1)C(=O)OC)C
InChI
InChI=1S/C8H15NO2S/c1-8(2)6(7(10)11-3)9-4-5-12-8/h6,9H,4-5H2,1-3H3/t6-/m0/s1
InChIKey
MVLQBKAFYAPKJY-LURJTMIESA-N
Compound name
methyl (3S)-2,2-dimethylthiomorpholine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

189.08235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08963 140.1
[M+Na]+ 212.07157 146.2
[M-H]- 188.07507 140.6
[M+NH4]+ 207.11617 160.2
[M+K]+ 228.04551 144.6
[M+H-H2O]+ 172.07961 135.2
[M+HCOO]- 234.08055 152.2
[M+CH3COO]- 248.09620 177.3
[M+Na-2H]- 210.05702 141.8
[M]+ 189.08180 138.5
[M]- 189.08290 138.5
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