CID 24892729

Plastoquinol-1

Structural Information

Molecular Formula
C13H18O2
SMILES
CC1=C(C=C(C(=C1C)O)CC=C(C)C)O
InChI
InChI=1S/C13H18O2/c1-8(2)5-6-11-7-12(14)9(3)10(4)13(11)15/h5,7,14-15H,6H2,1-4H3
InChIKey
WKFUDLTXRQQGHB-UHFFFAOYSA-N
Compound name
2,3-dimethyl-5-(3-methylbut-2-enyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

206.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 146.2
[M+Na]+ 229.119898 154.9
[M-H]- 205.123404 148.0
[M+NH4]+ 224.164503 165.0
[M+K]+ 245.093838 151.4
[M+H-H2O]+ 189.127940 141.5
[M+HCOO]- 251.128881 166.1
[M+CH3COO]- 265.144531 186.3
[M+Na-2H]- 227.105346 147.4
[M]+ 206.13013142 146.9
[M]- 206.13122858 146.9
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

patents stripe