CID 137943427

2287282-13-5

Structural Information

Molecular Formula
C12H18N2O2S
SMILES
CCOC(=O)C1=CSC(=N1)CC2CCCNC2
InChI
InChI=1S/C12H18N2O2S/c1-2-16-12(15)10-8-17-11(14-10)6-9-4-3-5-13-7-9/h8-9,13H,2-7H2,1H3
InChIKey
SBRSVESOJHISFC-UHFFFAOYSA-N
Compound name
ethyl 2-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1089 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.116176 158.6
[M+Na]+ 277.098118 163.9
[M-H]- 253.101624 160.6
[M+NH4]+ 272.142723 174.4
[M+K]+ 293.072058 160.5
[M+H-H2O]+ 237.106160 151.0
[M+HCOO]- 299.107101 170.7
[M+CH3COO]- 313.122751 188.0
[M+Na-2H]- 275.083566 156.8
[M]+ 254.10835142 157.0
[M]- 254.10944858 157.0
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.