CID 3058783

75606-53-0

Structural Information

Molecular Formula
C11H19NO2S
SMILES
CCOC(=O)C(CC=C)C1(NCCS1)C
InChI
InChI=1S/C11H19NO2S/c1-4-6-9(10(13)14-5-2)11(3)12-7-8-15-11/h4,9,12H,1,5-8H2,2-3H3
InChIKey
LNWIIIHSXUAKPI-UHFFFAOYSA-N
Compound name
ethyl 2-(2-methyl-1,3-thiazolidin-2-yl)pent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.11365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12093 155.9
[M+Na]+ 252.10287 162.6
[M+NH4]+ 247.14747 163.8
[M+K]+ 268.07681 156.0
[M-H]- 228.10637 154.6
[M+Na-2H]- 250.08832 158.2
[M]+ 229.11310 156.6
[M]- 229.11420 156.6
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.