CID 59679270

2031269-27-7

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₂S

SMILES

COC(=O)C1=CN=C(S1)C2CCNCC2

InChI

InChI=1S/C10H14N2O2S/c1-14-10(13)8-6-12-9(15-8)7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3

InChIKey

XDTCATPYBPKQLD-UHFFFAOYSA-N

Compound name

methyl 2-piperidin-4-yl-1,3-thiazole-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 226.0776 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.08488	150.0
[M+Na]+	249.06682	159.5
[M+NH4]+	244.11142	157.6
[M+K]+	265.04076	154.3
[M-H]-	225.07032	151.3
[M+Na-2H]-	247.05227	154.2
[M]+	226.07705	151.8
[M]-	226.07815	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe