CID 15515062

35301-66-7

Structural Information

Molecular Formula
C16H16O3
SMILES
CCC1=CC2=C(C=C1)C(=O)C34CCCCC3(C2=O)O4
InChI
InChI=1S/C16H16O3/c1-2-10-5-6-11-12(9-10)14(18)16-8-4-3-7-15(16,19-16)13(11)17/h5-6,9H,2-4,7-8H2,1H3
InChIKey
GQNDEQRVNHMCEV-UHFFFAOYSA-N
Compound name
5-ethyl-15-oxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-triene-2,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.10995 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.11723 159.3
[M+Na]+ 279.09917 169.7
[M-H]- 255.10267 168.4
[M+NH4]+ 274.14377 176.1
[M+K]+ 295.07311 168.0
[M+H-H2O]+ 239.10721 152.5
[M+HCOO]- 301.10815 175.1
[M+CH3COO]- 315.12380 171.5
[M+Na-2H]- 277.08462 166.7
[M]+ 256.10940 161.9
[M]- 256.11050 161.9
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.