CID 91221

24700-85-4

Structural Information

Molecular Formula
C22H36O2
SMILES
CCCCCCCCC1=CC2=C(C=C1O)C(CC(O2)(C)C)C(C)C
InChI
InChI=1S/C22H36O2/c1-6-7-8-9-10-11-12-17-13-21-18(14-20(17)23)19(16(2)3)15-22(4,5)24-21/h13-14,16,19,23H,6-12,15H2,1-5H3
InChIKey
JYZPSBQSMQQYOB-UHFFFAOYSA-N
Compound name
2,2-dimethyl-7-octyl-4-propan-2-yl-3,4-dihydrochromen-6-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

25
Patents

332.27155 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.278826 186.3
[M+Na]+ 355.260768 191.5
[M-H]- 331.264274 189.1
[M+NH4]+ 350.305373 202.1
[M+K]+ 371.234708 188.2
[M+H-H2O]+ 315.268810 179.9
[M+HCOO]- 377.269751 200.3
[M+CH3COO]- 391.285401 215.1
[M+Na-2H]- 353.246216 186.4
[M]+ 332.27100142 189.6
[M]- 332.27209858 189.6
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

patents stripe