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
3
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 170.5
[M+Na]+ 339.22945 180.3
[M-H]- 315.23295 180.0
[M+NH4]+ 334.27405 192.5
[M+K]+ 355.20339 178.8
[M+H-H2O]+ 299.23749 166.0
[M+HCOO]- 361.23843 185.9
[M+CH3COO]- 375.25408 212.2
[M+Na-2H]- 337.21490 173.1
[M]+ 316.23968 173.6
[M]- 316.24078 173.6
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