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]+ 255.11618 158.6
[M+Na]+ 277.09812 163.9
[M-H]- 253.10162 160.6
[M+NH4]+ 272.14272 174.4
[M+K]+ 293.07206 160.5
[M+H-H2O]+ 237.10616 151.0
[M+HCOO]- 299.10710 170.7
[M+CH3COO]- 313.12275 188.0
[M+Na-2H]- 275.08357 156.8
[M]+ 254.10835 157.0
[M]- 254.10945 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.