CID 3069937

85486-59-5

Structural Information

Molecular Formula
C13H24N2O3S
SMILES
CCN(CC)C(=O)CC1(NC(C(S1)(C)C)C(=O)O)C
InChI
InChI=1S/C13H24N2O3S/c1-6-15(7-2)9(16)8-13(5)14-10(11(17)18)12(3,4)19-13/h10,14H,6-8H2,1-5H3,(H,17,18)
InChIKey
CNOBQTGRMBXQSL-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

288.15076 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15804 167.8
[M+Na]+ 311.13998 172.7
[M+NH4]+ 306.18458 175.5
[M+K]+ 327.11392 166.4
[M-H]- 287.14348 165.8
[M+Na-2H]- 309.12543 170.4
[M]+ 288.15021 168.1
[M]- 288.15131 168.1
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