CID 3069933

85486-55-1

Structural Information

Molecular Formula
C13H22N2O4S
SMILES
CC1(C(NC(S1)(C)CC(=O)N2CCOCC2)C(=O)O)C
InChI
InChI=1S/C13H22N2O4S/c1-12(2)10(11(17)18)14-13(3,20-12)8-9(16)15-4-6-19-7-5-15/h10,14H,4-8H2,1-3H3,(H,17,18)
InChIKey
MWJDCXNXFWJBSW-UHFFFAOYSA-N
Compound name
2,5,5-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

302.13004 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13732 169.0
[M+Na]+ 325.11926 175.0
[M+NH4]+ 320.16386 176.7
[M+K]+ 341.09320 169.1
[M-H]- 301.12276 168.9
[M+Na-2H]- 323.10471 171.8
[M]+ 302.12949 170.1
[M]- 302.13059 170.1
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