CID 5158539

Decylplastoquinone

Structural Information

Molecular Formula
C18H28O2
SMILES
CCCCCCCCCCC1=CC(=O)C(=C(C1=O)C)C
InChI
InChI=1S/C18H28O2/c1-4-5-6-7-8-9-10-11-12-16-13-17(19)14(2)15(3)18(16)20/h13H,4-12H2,1-3H3
InChIKey
APNQQQRDLMWNLM-UHFFFAOYSA-N
Compound name
5-decyl-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

49
Patents

276.20892 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.21620 167.5
[M+Na]+ 299.19814 174.3
[M-H]- 275.20164 170.6
[M+NH4]+ 294.24274 184.7
[M+K]+ 315.17208 170.4
[M+H-H2O]+ 259.20618 161.1
[M+HCOO]- 321.20712 188.4
[M+CH3COO]- 335.22277 205.9
[M+Na-2H]- 297.18359 167.3
[M]+ 276.20837 172.4
[M]- 276.20947 172.4
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