CID 33589561

1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C9H10F3N3O2S
SMILES
C1CN(CCC1C(=O)O)C2=NN=C(S2)C(F)(F)F
InChI
InChI=1S/C9H10F3N3O2S/c10-9(11,12)7-13-14-8(18-7)15-3-1-5(2-4-15)6(16)17/h5H,1-4H2,(H,16,17)
InChIKey
PWQMNLMMMCREOV-UHFFFAOYSA-N
Compound name
1-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05188 156.7
[M+Na]+ 304.03382 164.5
[M-H]- 280.03732 154.3
[M+NH4]+ 299.07842 170.1
[M+K]+ 320.00776 160.8
[M+H-H2O]+ 264.04186 147.0
[M+HCOO]- 326.04280 163.8
[M+CH3COO]- 340.05845 191.6
[M+Na-2H]- 302.01927 155.0
[M]+ 281.04405 151.2
[M]- 281.04515 151.2
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.