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]+ 287.14238 166.1
[M+Na]+ 309.12432 171.8
[M-H]- 285.12782 167.3
[M+NH4]+ 304.16892 185.6
[M+K]+ 325.09826 169.3
[M+H-H2O]+ 269.13236 162.0
[M+HCOO]- 331.13330 175.1
[M+CH3COO]- 345.14895 191.9
[M+Na-2H]- 307.10977 162.2
[M]+ 286.13455 164.1
[M]- 286.13565 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