CID 16788972

2792202-22-1

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CC1=CSC(=N1)N2CCC(CC2)C(=O)O
InChI
InChI=1S/C10H14N2O2S/c1-7-6-15-10(11-7)12-4-2-8(3-5-12)9(13)14/h6,8H,2-5H2,1H3,(H,13,14)
InChIKey
OCCNNHHMDCZCNB-UHFFFAOYSA-N
Compound name
1-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

226.0776 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 149.7
[M+Na]+ 249.06682 156.7
[M-H]- 225.07032 152.4
[M+NH4]+ 244.11142 166.8
[M+K]+ 265.04076 153.7
[M+H-H2O]+ 209.07486 142.8
[M+HCOO]- 271.07580 162.4
[M+CH3COO]- 285.09145 183.9
[M+Na-2H]- 247.05227 148.2
[M]+ 226.07705 147.9
[M]- 226.07815 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

patents stripe