CID 131751487

Plastoquinone 3

Structural Information

Molecular Formula
C23H32O2
SMILES
CC1=C(C(=O)C(=CC1=O)C/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)C
InChI
InChI=1S/C23H32O2/c1-16(2)9-7-10-17(3)11-8-12-18(4)13-14-21-15-22(24)19(5)20(6)23(21)25/h9,11,13,15H,7-8,10,12,14H2,1-6H3/b17-11+,18-13-
InChIKey
AUMXJZBVBBGETK-JAFZKPNWSA-N
Compound name
2,3-dimethyl-5-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

340.24023 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.24751 188.3
[M+Na]+ 363.22945 198.3
[M+NH4]+ 358.27405 193.3
[M+K]+ 379.20339 191.1
[M-H]- 339.23295 188.4
[M+Na-2H]- 361.21490 189.3
[M]+ 340.23968 189.5
[M]- 340.24078 189.5
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

patents stripe