CID 131704302

Bound form""'

Structural Information

Molecular Formula
C13H17NO5S
SMILES
C[C@H]([C@@H](C=O)[C@H]1NC(=CS1)C(=O)OCC=C)OC(=O)C
InChI
InChI=1S/C13H17NO5S/c1-4-5-18-13(17)11-7-20-12(14-11)10(6-15)8(2)19-9(3)16/h4,6-8,10,12,14H,1,5H2,2-3H3/t8-,10-,12+/m1/s1
InChIKey
KYVQFVHQVGHNFK-UISBYWKRSA-N
Compound name
prop-2-enyl (2S)-2-[(2S,3R)-3-acetyloxy-1-oxobutan-2-yl]-2,3-dihydro-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.08273 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09001 169.6
[M+Na]+ 322.07195 174.4
[M-H]- 298.07545 170.0
[M+NH4]+ 317.11655 184.6
[M+K]+ 338.04589 172.3
[M+H-H2O]+ 282.07999 163.3
[M+HCOO]- 344.08093 181.9
[M+CH3COO]- 358.09658 197.6
[M+Na-2H]- 320.05740 164.3
[M]+ 299.08218 173.4
[M]- 299.08328 173.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.