CID 3069932

85486-54-0

Structural Information

Molecular Formula
C13H22N2O3S
SMILES
CC1(C(NC(S1)(C)CC(=O)N2CCCC2)C(=O)O)C
InChI
InChI=1S/C13H22N2O3S/c1-12(2)10(11(17)18)14-13(3,19-12)8-9(16)15-6-4-5-7-15/h10,14H,4-8H2,1-3H3,(H,17,18)
InChIKey
KMEBOECXQNSMAT-UHFFFAOYSA-N
Compound name
2,5,5-trimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

286.1351 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.142376 166.1
[M+Na]+ 309.124318 171.8
[M-H]- 285.127824 167.3
[M+NH4]+ 304.168923 185.6
[M+K]+ 325.098258 169.3
[M+H-H2O]+ 269.132360 162.0
[M+HCOO]- 331.133301 175.1
[M+CH3COO]- 345.148951 191.9
[M+Na-2H]- 307.109766 162.2
[M]+ 286.13455142 164.1
[M]- 286.13564858 164.1
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