CID 6446387

D 441

Structural Information

Molecular Formula
C19H20O5
SMILES
CC(C)(C)C(/C=C/C1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=CO3
InChI
InChI=1S/C19H20O5/c1-19(2,3)17(24-18(20)15-5-4-10-21-15)9-7-13-6-8-14-16(11-13)23-12-22-14/h4-11,17H,12H2,1-3H3/b9-7+
InChIKey
UOLCTZOCBQUROW-VQHVLOKHSA-N
Compound name
[(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-yl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.13107 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.13835 178.2
[M+Na]+ 351.12029 184.2
[M-H]- 327.12379 187.6
[M+NH4]+ 346.16489 192.4
[M+K]+ 367.09423 185.2
[M+H-H2O]+ 311.12833 173.8
[M+HCOO]- 373.12927 195.8
[M+CH3COO]- 387.14492 205.7
[M+Na-2H]- 349.10574 180.9
[M]+ 328.13052 184.0
[M]- 328.13162 184.0
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.