CID 129909220

(1-hydroxy-2-methoxy-3,5,5-trimethyl-4,6-dioxo-cyclohex-2-en-1-yl) (e)-3-phenylprop-2-enoate

Structural Information

Molecular Formula
C19H20O6
SMILES
CC1=C(C(C(=O)C(C1=O)(C)C)(O)OC(=O)/C=C/C2=CC=CC=C2)OC
InChI
InChI=1S/C19H20O6/c1-12-15(21)18(2,3)17(22)19(23,16(12)24-4)25-14(20)11-10-13-8-6-5-7-9-13/h5-11,23H,1-4H3/b11-10+
InChIKey
LJVIZUISXBJSPK-ZHACJKMWSA-N
Compound name
(1-hydroxy-2-methoxy-3,5,5-trimethyl-4,6-dioxocyclohex-2-en-1-yl) (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.12598 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 173.2
[M+Na]+ 367.11520 182.2
[M-H]- 343.11870 179.3
[M+NH4]+ 362.15980 190.3
[M+K]+ 383.08914 179.7
[M+H-H2O]+ 327.12324 167.6
[M+HCOO]- 389.12418 192.5
[M+CH3COO]- 403.13983 209.5
[M+Na-2H]- 365.10065 175.3
[M]+ 344.12543 177.5
[M]- 344.12653 177.5
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.