CID 3069931

2-(2-(dimethylamino)-2-oxoethyl)-2,5,5-trimethyl-4-thiazolidinecarboxylic acid

Structural Information

Molecular Formula
C11H20N2O3S
SMILES
CC1(C(NC(S1)(C)CC(=O)N(C)C)C(=O)O)C
InChI
InChI=1S/C11H20N2O3S/c1-10(2)8(9(15)16)12-11(3,17-10)6-7(14)13(4)5/h8,12H,6H2,1-5H3,(H,15,16)
InChIKey
YOEWXEPGJITUFZ-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)-2-oxoethyl]-2,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

260.11948 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12676 159.6
[M+Na]+ 283.10870 164.9
[M+NH4]+ 278.15330 167.7
[M+K]+ 299.08264 159.1
[M-H]- 259.11220 157.8
[M+Na-2H]- 281.09415 162.7
[M]+ 260.11893 160.1
[M]- 260.12003 160.1
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