CID 62752431

2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CC1CCN(CC1)C2=NC=C(S2)C(=O)O
InChI
InChI=1S/C10H14N2O2S/c1-7-2-4-12(5-3-7)10-11-6-8(15-10)9(13)14/h6-7H,2-5H2,1H3,(H,13,14)
InChIKey
SLLWHUMPKXRVNI-UHFFFAOYSA-N
Compound name
2-(4-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0776 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.084876 149.7
[M+Na]+ 249.066818 156.7
[M-H]- 225.070324 152.4
[M+NH4]+ 244.111423 166.8
[M+K]+ 265.040758 153.7
[M+H-H2O]+ 209.074860 142.8
[M+HCOO]- 271.075801 162.4
[M+CH3COO]- 285.091451 183.9
[M+Na-2H]- 247.052266 148.2
[M]+ 226.07705142 147.9
[M]- 226.07814858 147.9
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

No patent data available for this compound.