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 164.2
[M+Na]+ 311.13998 169.4
[M-H]- 287.14348 164.5
[M+NH4]+ 306.18458 183.7
[M+K]+ 327.11392 167.9
[M+H-H2O]+ 271.14802 160.5
[M+HCOO]- 333.14896 176.0
[M+CH3COO]- 347.16461 200.8
[M+Na-2H]- 309.12543 162.4
[M]+ 288.15021 166.2
[M]- 288.15131 166.2
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