CID 162680194

Trihazone a

Structural Information

Molecular Formula
C20H26O6
SMILES
CCC(C)/C=C/C=C/CC/C=C(\C)/C(=C/1\C(=O)C(OC1=O)CC(=O)O)/O
InChI
InChI=1S/C20H26O6/c1-4-13(2)10-8-6-5-7-9-11-14(3)18(23)17-19(24)15(12-16(21)22)26-20(17)25/h5-6,8,10-11,13,15,23H,4,7,9,12H2,1-3H3,(H,21,22)/b6-5+,10-8+,14-11+,18-17-
InChIKey
KWCALBMJAYKCIQ-CQWVTYCBSA-N
Compound name
2-[(4Z)-4-[(2E,6E,8E)-1-hydroxy-2,10-dimethyldodeca-2,6,8-trienylidene]-3,5-dioxooxolan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.17294 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.18022 189.3
[M+Na]+ 385.16216 193.5
[M+NH4]+ 380.20676 190.4
[M+K]+ 401.13610 193.0
[M-H]- 361.16566 185.5
[M+Na-2H]- 383.14761 184.3
[M]+ 362.17239 187.8
[M]- 362.17349 187.8
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.