CID 2817450

22916-26-3

Structural Information

Molecular Formula
C6H11NO2S
SMILES
CC1([C@@H](NCS1)C(=O)O)C
InChI
InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKey
PMQQFSDIECYOQV-BYPYZUCNSA-N
Compound name
(4S)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

275
Patents

161.05106 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05834 133.0
[M+Na]+ 184.04028 140.6
[M-H]- 160.04378 132.7
[M+NH4]+ 179.08488 155.3
[M+K]+ 200.01422 138.5
[M+H-H2O]+ 144.04832 129.0
[M+HCOO]- 206.04926 146.3
[M+CH3COO]- 220.06491 169.1
[M+Na-2H]- 182.02573 133.8
[M]+ 161.05051 131.0
[M]- 161.05161 131.0
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

No patent data available for this compound.