CID 165820991

En300-37470997

Structural Information

Molecular Formula
C11H16O4
SMILES
COC(=O)C[C@@H]1CC(=O)C[C@@H](O1)CC=C
InChI
InChI=1S/C11H16O4/c1-3-4-9-5-8(12)6-10(15-9)7-11(13)14-2/h3,9-10H,1,4-7H2,2H3/t9-,10-/m0/s1
InChIKey
PLKCEPNRKWIBFS-UWVGGRQHSA-N
Compound name
methyl 2-[(2S,6S)-4-oxo-6-prop-2-enyloxan-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.10486 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.112136 145.6
[M+Na]+ 235.094078 151.6
[M-H]- 211.097584 149.3
[M+NH4]+ 230.138683 163.1
[M+K]+ 251.068018 151.5
[M+H-H2O]+ 195.102120 139.9
[M+HCOO]- 257.103061 164.8
[M+CH3COO]- 271.118711 186.6
[M+Na-2H]- 233.079526 148.5
[M]+ 212.10431142 146.4
[M]- 212.10540858 146.4
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.