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]+ 213.11214 145.6
[M+Na]+ 235.09408 151.6
[M-H]- 211.09758 149.3
[M+NH4]+ 230.13868 163.1
[M+K]+ 251.06802 151.5
[M+H-H2O]+ 195.10212 139.9
[M+HCOO]- 257.10306 164.8
[M+CH3COO]- 271.11871 186.6
[M+Na-2H]- 233.07953 148.5
[M]+ 212.10431 146.4
[M]- 212.10541 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.