CID 91811971

2253629-64-8

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CC1=C(SC(=N1)C2CCCN(C2)C)C(=O)O
InChI
InChI=1S/C11H16N2O2S/c1-7-9(11(14)15)16-10(12-7)8-4-3-5-13(2)6-8/h8H,3-6H2,1-2H3,(H,14,15)
InChIKey
SHHYZRTWJCKBTQ-UHFFFAOYSA-N
Compound name
4-methyl-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.09325 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 154.6
[M+Na]+ 263.08247 164.6
[M+NH4]+ 258.12707 162.0
[M+K]+ 279.05641 159.5
[M-H]- 239.08597 155.9
[M+Na-2H]- 261.06792 158.0
[M]+ 240.09270 156.6
[M]- 240.09380 156.6
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.