CID 115683963

2-(2,2-dimethylthiomorpholin-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2S
SMILES
CC1(CN(CCS1)CC(=O)O)C
InChI
InChI=1S/C8H15NO2S/c1-8(2)6-9(3-4-12-8)5-7(10)11/h3-6H2,1-2H3,(H,10,11)
InChIKey
RQCCWGPWPCSNIM-UHFFFAOYSA-N
Compound name
2-(2,2-dimethylthiomorpholin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.08235 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.089626 139.9
[M+Na]+ 212.071568 145.9
[M-H]- 188.075074 140.3
[M+NH4]+ 207.116173 159.9
[M+K]+ 228.045508 144.2
[M+H-H2O]+ 172.079610 134.9
[M+HCOO]- 234.080551 151.9
[M+CH3COO]- 248.096201 177.9
[M+Na-2H]- 210.057016 141.6
[M]+ 189.08180142 138.3
[M]- 189.08289858 138.3
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

No patent data available for this compound.