CID 16227590

1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
CC1=NC(=CS1)CN2CCC(CC2)C(=O)O
InChI
InChI=1S/C11H16N2O2S/c1-8-12-10(7-16-8)6-13-4-2-9(3-5-13)11(14)15/h7,9H,2-6H2,1H3,(H,14,15)
InChIKey
KOKFIDGUSIUQIO-UHFFFAOYSA-N
Compound name
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

240.09325 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.100526 154.0
[M+Na]+ 263.082468 160.5
[M-H]- 239.085974 156.5
[M+NH4]+ 258.127073 170.5
[M+K]+ 279.056408 157.3
[M+H-H2O]+ 223.090510 146.9
[M+HCOO]- 285.091451 166.4
[M+CH3COO]- 299.107101 186.9
[M+Na-2H]- 261.067916 152.1
[M]+ 240.09270142 152.5
[M]- 240.09379858 152.5
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

patents stripe