CID 19912837

131812-48-1

Structural Information

Molecular Formula
C21H32O2
SMILES
CC1CC(C2=C(C1(C)C)C=C(C(=C2)C3(OCC(O3)C)C)C)(C)C
InChI
InChI=1S/C21H32O2/c1-13-9-18-17(19(4,5)11-14(2)20(18,6)7)10-16(13)21(8)22-12-15(3)23-21/h9-10,14-15H,11-12H2,1-8H3
InChIKey
OKMNDOGDSXEHMU-UHFFFAOYSA-N
Compound name
2-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)-2,4-dimethyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

316.24023 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24751 172.5
[M+Na]+ 339.22945 185.5
[M+NH4]+ 334.27405 185.8
[M+K]+ 355.20339 175.1
[M-H]- 315.23295 179.8
[M+Na-2H]- 337.21490 180.2
[M]+ 316.23968 177.2
[M]- 316.24078 177.2
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