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 152.6
[M+Na]+ 252.02766 157.1
[M+NH4]+ 247.07226 157.9
[M+K]+ 268.00160 152.8
[M-H]- 228.03116 146.3
[M+Na-2H]- 250.01311 152.7
[M]+ 229.03789 151.4
[M]- 229.03899 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.