CID 496054

Nsc677618

Structural Information

Molecular Formula
C14H18O7
SMILES
CC(=O)OC1(C(OC(=O)C1=O)C2COC(O2)(C)C)CC=C
InChI
InChI=1S/C14H18O7/c1-5-6-14(20-8(2)15)10(16)12(17)19-11(14)9-7-18-13(3,4)21-9/h5,9,11H,1,6-7H2,2-4H3
InChIKey
ZPMODXCLZDPQAT-UHFFFAOYSA-N
Compound name
[2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-dioxo-3-prop-2-enyloxolan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.10526 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11254 157.7
[M+Na]+ 321.09448 166.0
[M-H]- 297.09798 166.6
[M+NH4]+ 316.13908 176.4
[M+K]+ 337.06842 168.1
[M+H-H2O]+ 281.10252 156.3
[M+HCOO]- 343.10346 176.0
[M+CH3COO]- 357.11911 200.4
[M+Na-2H]- 319.07993 160.7
[M]+ 298.10471 163.6
[M]- 298.10581 163.6
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.