CID 93964

2,2,5,5-tetramethylthiazolidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO2S
SMILES
CC1(C(NC(S1)(C)C)C(=O)O)C
InChI
InChI=1S/C8H15NO2S/c1-7(2)5(6(10)11)9-8(3,4)12-7/h5,9H,1-4H3,(H,10,11)
InChIKey
ILJCRVOHKUEEIW-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

189.08235 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.089626 137.8
[M+Na]+ 212.071568 146.2
[M-H]- 188.075074 137.9
[M+NH4]+ 207.116173 161.4
[M+K]+ 228.045508 144.0
[M+H-H2O]+ 172.079610 135.2
[M+HCOO]- 234.080551 150.5
[M+CH3COO]- 248.096201 176.1
[M+Na-2H]- 210.057016 139.0
[M]+ 189.08180142 137.6
[M]- 189.08289858 137.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe