CID 11776653

Sorrentanone

Structural Information

Molecular Formula
C14H14O4
SMILES
C/C=C/C=C/C(=O)C1=C(C(=O)C(=O)C(=C1O)C)C
InChI
InChI=1S/C14H14O4/c1-4-5-6-7-10(15)11-8(2)13(17)14(18)9(3)12(11)16/h4-7,16H,1-3H3/b5-4+,7-6+
InChIKey
QPJFEVOJXXMYHH-YTXTXJHMSA-N
Compound name
4-[(2E,4E)-hexa-2,4-dienoyl]-5-hydroxy-3,6-dimethylcyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

246.0892 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09648 149.8
[M+Na]+ 269.07842 159.5
[M-H]- 245.08192 152.9
[M+NH4]+ 264.12302 167.5
[M+K]+ 285.05236 155.6
[M+H-H2O]+ 229.08646 144.9
[M+HCOO]- 291.08740 170.7
[M+CH3COO]- 305.10305 193.8
[M+Na-2H]- 267.06387 149.8
[M]+ 246.08865 151.9
[M]- 246.08975 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.