CID 64158623

1-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C8H11N3O2S
SMILES
C1CN(CCC1C(=O)O)C2=NN=CS2
InChI
InChI=1S/C8H11N3O2S/c12-7(13)6-1-3-11(4-2-6)8-10-9-5-14-8/h5-6H,1-4H2,(H,12,13)
InChIKey
URVTYZVZVVGXFT-UHFFFAOYSA-N
Compound name
1-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.0572 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.06448 145.0
[M+Na]+ 236.04642 152.0
[M-H]- 212.04992 146.3
[M+NH4]+ 231.09102 160.9
[M+K]+ 252.02036 149.4
[M+H-H2O]+ 196.05446 137.3
[M+HCOO]- 258.05540 157.1
[M+CH3COO]- 272.07105 179.7
[M+Na-2H]- 234.03187 145.0
[M]+ 213.05665 142.5
[M]- 213.05775 142.5
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.