CID 92712

2,6-bis(6-methylheptyl)benzene-1,4-diol

Structural Information

Molecular Formula
C22H38O2
SMILES
CC(C)CCCCCC1=CC(=CC(=C1O)CCCCCC(C)C)O
InChI
InChI=1S/C22H38O2/c1-17(2)11-7-5-9-13-19-15-21(23)16-20(22(19)24)14-10-6-8-12-18(3)4/h15-18,23-24H,5-14H2,1-4H3
InChIKey
ZIASSHGVJYKYSN-UHFFFAOYSA-N
Compound name
2,6-bis(6-methylheptyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.28717 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.29445 189.3
[M+Na]+ 357.27639 199.0
[M+NH4]+ 352.32099 195.3
[M+K]+ 373.25033 191.7
[M-H]- 333.27989 189.9
[M+Na-2H]- 355.26184 191.1
[M]+ 334.28662 190.7
[M]- 334.28772 190.7
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.