CID 386046

Nsc677613

Structural Information

Molecular Formula
C19H22O6
SMILES
CC1(OCC(O1)C2C(C(=O)C(=O)O2)(CC=C)OCC3=CC=CC=C3)C
InChI
InChI=1S/C19H22O6/c1-4-10-19(23-11-13-8-6-5-7-9-13)15(20)17(21)24-16(19)14-12-22-18(2,3)25-14/h4-9,14,16H,1,10-12H2,2-3H3
InChIKey
QUSJNYTVFAJGCT-UHFFFAOYSA-N
Compound name
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-phenylmethoxy-4-prop-2-enyloxolane-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14163 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 174.6
[M+Na]+ 369.13085 182.4
[M-H]- 345.13435 186.5
[M+NH4]+ 364.17545 191.2
[M+K]+ 385.10479 182.8
[M+H-H2O]+ 329.13889 170.8
[M+HCOO]- 391.13983 193.4
[M+CH3COO]- 405.15548 209.3
[M+Na-2H]- 367.11630 176.8
[M]+ 346.14108 179.7
[M]- 346.14218 179.7
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.