CID 207930

5,5-dimethyl-2-(trifluoromethyl)-4-thiazolidinecarboxylic acid

Structural Information

Molecular Formula
C7H10F3NO2S
SMILES
CC1(C(NC(S1)C(F)(F)F)C(=O)O)C
InChI
InChI=1S/C7H10F3NO2S/c1-6(2)3(4(12)13)11-5(14-6)7(8,9)10/h3,5,11H,1-2H3,(H,12,13)
InChIKey
MYOSTGLTYLGUNS-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-(trifluoromethyl)-1,3-thiazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.03844 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04572 142.6
[M+Na]+ 252.02766 150.9
[M-H]- 228.03116 138.5
[M+NH4]+ 247.07226 162.4
[M+K]+ 268.00160 147.9
[M+H-H2O]+ 212.03570 136.7
[M+HCOO]- 274.03664 150.9
[M+CH3COO]- 288.05229 181.2
[M+Na-2H]- 250.01311 141.9
[M]+ 229.03789 137.4
[M]- 229.03899 137.4
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