CID 162680196

Trihazone d

Structural Information

Molecular Formula
C19H24O4
SMILES
CCC(C)/C=C/C=C/CC/C=C(\C)/C(=C/1\C(=O)C(=C)OC1=O)/O
InChI
InChI=1S/C19H24O4/c1-5-13(2)11-9-7-6-8-10-12-14(3)17(20)16-18(21)15(4)23-19(16)22/h6-7,9,11-13,20H,4-5,8,10H2,1-3H3/b7-6+,11-9+,14-12+,17-16-
InChIKey
MGHXIJNJUGJJDD-ZVCHMPSQSA-N
Compound name
(3Z)-3-[(2E,6E,8E)-1-hydroxy-2,10-dimethyldodeca-2,6,8-trienylidene]-5-methylideneoxolane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16745 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.17473 178.0
[M+Na]+ 339.15667 182.9
[M-H]- 315.16017 179.8
[M+NH4]+ 334.20127 192.5
[M+K]+ 355.13061 178.3
[M+H-H2O]+ 299.16471 172.9
[M+HCOO]- 361.16565 193.9
[M+CH3COO]- 375.18130 205.7
[M+Na-2H]- 337.14212 172.1
[M]+ 316.16690 177.9
[M]- 316.16800 177.9
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.