CID 24213893

952182-68-2

Structural Information

Molecular Formula
C9H12N2O2S
SMILES
C1CCN(CC1)C2=NC(=CS2)C(=O)O
InChI
InChI=1S/C9H12N2O2S/c12-8(13)7-6-14-9(10-7)11-4-2-1-3-5-11/h6H,1-5H2,(H,12,13)
InChIKey
CTYVDXOBZLKERL-UHFFFAOYSA-N
Compound name
2-piperidin-1-yl-1,3-thiazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

212.06195 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.069226 145.4
[M+Na]+ 235.051168 152.0
[M-H]- 211.054674 148.0
[M+NH4]+ 230.095773 162.8
[M+K]+ 251.025108 149.3
[M+H-H2O]+ 195.059210 138.4
[M+HCOO]- 257.060151 158.5
[M+CH3COO]- 271.075801 179.7
[M+Na-2H]- 233.036616 145.1
[M]+ 212.06140142 142.9
[M]- 212.06249858 142.9
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