CID 3069936

2,5,5-trimethyl-2-(2-oxo-2-(1-piperidinyl)ethyl)-4-thiazolidinecarboxylic acid

Structural Information

Molecular Formula
C14H24N2O3S
SMILES
CC1(C(NC(S1)(C)CC(=O)N2CCCCC2)C(=O)O)C
InChI
InChI=1S/C14H24N2O3S/c1-13(2)11(12(18)19)15-14(3,20-13)9-10(17)16-7-5-4-6-8-16/h11,15H,4-9H2,1-3H3,(H,18,19)
InChIKey
IZZXDPWXDGRIKH-UHFFFAOYSA-N
Compound name
2,5,5-trimethyl-2-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

300.15076 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15804 169.5
[M+Na]+ 323.13998 173.7
[M-H]- 299.14348 169.7
[M+NH4]+ 318.18458 186.5
[M+K]+ 339.11392 170.8
[M+H-H2O]+ 283.14802 164.5
[M+HCOO]- 345.14896 175.8
[M+CH3COO]- 359.16461 195.0
[M+Na-2H]- 321.12543 166.5
[M]+ 300.15021 165.6
[M]- 300.15131 165.6
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

patents stripe