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]+ 214.064476 145.0
[M+Na]+ 236.046418 152.0
[M-H]- 212.049924 146.3
[M+NH4]+ 231.091023 160.9
[M+K]+ 252.020358 149.4
[M+H-H2O]+ 196.054460 137.3
[M+HCOO]- 258.055401 157.1
[M+CH3COO]- 272.071051 179.7
[M+Na-2H]- 234.031866 145.0
[M]+ 213.05665142 142.5
[M]- 213.05774858 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.