CID 24846942

1-methyl-4-piperidyl-2-thienyl(isopropenyl)glycolate

Structural Information

Molecular Formula
C15H21NO3S
SMILES
CC(=C)C(C1=CC=CS1)(C(=O)OC2CCN(CC2)C)O
InChI
InChI=1S/C15H21NO3S/c1-11(2)15(18,13-5-4-10-20-13)14(17)19-12-6-8-16(3)9-7-12/h4-5,10,12,18H,1,6-9H2,2-3H3
InChIKey
VVSIUOLJSADEPB-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-hydroxy-3-methyl-2-thiophen-2-ylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1242 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.13148 170.8
[M+Na]+ 318.11342 174.8
[M-H]- 294.11692 174.0
[M+NH4]+ 313.15802 186.0
[M+K]+ 334.08736 171.8
[M+H-H2O]+ 278.12146 164.4
[M+HCOO]- 340.12240 180.9
[M+CH3COO]- 354.13805 196.7
[M+Na-2H]- 316.09887 167.9
[M]+ 295.12365 169.4
[M]- 295.12475 169.4
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.