CID 11631979

Dtxsid601170325

Structural Information

Molecular Formula
C21H32O5
SMILES
CC1CCC(C(C1)OCC2COC(O2)C3=CC(=C(C=C3)O)OC)C(C)C
InChI
InChI=1S/C21H32O5/c1-13(2)17-7-5-14(3)9-19(17)24-11-16-12-25-21(26-16)15-6-8-18(22)20(10-15)23-4/h6,8,10,13-14,16-17,19,21-22H,5,7,9,11-12H2,1-4H3
InChIKey
ZOGKSXQLOOQXFG-UHFFFAOYSA-N
Compound name
2-methoxy-4-[4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-1,3-dioxolan-2-yl]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

282
Patents

364.22498 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.23226 188.8
[M+Na]+ 387.21420 198.9
[M+NH4]+ 382.25880 195.3
[M+K]+ 403.18814 195.9
[M-H]- 363.21770 195.3
[M+Na-2H]- 385.19965 191.2
[M]+ 364.22443 191.9
[M]- 364.22553 191.9
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