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

19
Patents

332.27155 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 186.3
[M+Na]+ 355.26077 191.5
[M-H]- 331.26427 189.1
[M+NH4]+ 350.30537 202.1
[M+K]+ 371.23471 188.2
[M+H-H2O]+ 315.26881 179.9
[M+HCOO]- 377.26975 200.3
[M+CH3COO]- 391.28540 215.1
[M+Na-2H]- 353.24622 186.4
[M]+ 332.27100 189.6
[M]- 332.27210 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