CID 115683957

1602964-92-0

Structural Information

Molecular Formula
C9H17NO2S
SMILES
CC1(CN(CCS1)CCC(=O)O)C
InChI
InChI=1S/C9H17NO2S/c1-9(2)7-10(5-6-13-9)4-3-8(11)12/h3-7H2,1-2H3,(H,11,12)
InChIKey
CMLJLZAWYXUMGM-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylthiomorpholin-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.098 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10528 145.9
[M+Na]+ 226.08722 154.9
[M+NH4]+ 221.13182 154.9
[M+K]+ 242.06116 146.3
[M-H]- 202.09072 146.0
[M+Na-2H]- 224.07267 150.1
[M]+ 203.09745 147.6
[M]- 203.09855 147.6
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.