CID 65721131

2138098-59-4

Structural Information

Molecular Formula
C8H11N3O2S
SMILES
C1CN(CCN1)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C8H11N3O2S/c12-7(13)6-5-14-8(10-6)11-3-1-9-2-4-11/h5,9H,1-4H2,(H,12,13)
InChIKey
WNJWHEQEMFRZMT-UHFFFAOYSA-N
Compound name
2-piperazin-1-yl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

213.0572 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.064476 145.3
[M+Na]+ 236.046418 151.9
[M-H]- 212.049924 145.2
[M+NH4]+ 231.091023 160.5
[M+K]+ 252.020358 148.4
[M+H-H2O]+ 196.054460 137.9
[M+HCOO]- 258.055401 155.9
[M+CH3COO]- 272.071051 155.6
[M+Na-2H]- 234.031866 144.9
[M]+ 213.05665142 141.0
[M]- 213.05774858 141.0
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