CID 43312494

2-(butan-2-yl)-1,3-thiazolidine-4-carboxylic acid

Structural Information

Molecular Formula
C8H15NO2S
SMILES
CCC(C)C1NC(CS1)C(=O)O
InChI
InChI=1S/C8H15NO2S/c1-3-5(2)7-9-6(4-12-7)8(10)11/h5-7,9H,3-4H2,1-2H3,(H,10,11)
InChIKey
VFUSLWYDMLQHQH-UHFFFAOYSA-N
Compound name
2-butan-2-yl-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.08235 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08963 143.4
[M+Na]+ 212.07157 149.0
[M-H]- 188.07507 142.7
[M+NH4]+ 207.11617 162.6
[M+K]+ 228.04551 146.7
[M+H-H2O]+ 172.07961 138.1
[M+HCOO]- 234.08055 155.1
[M+CH3COO]- 248.09620 176.4
[M+Na-2H]- 210.05702 140.6
[M]+ 189.08180 141.2
[M]- 189.08290 141.2
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.