CID 3034278

131812-67-4

Structural Information

Molecular Formula
C19H28O2
SMILES
CC1COC(O1)(C)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
InChI
InChI=1S/C19H28O2/c1-13-12-20-19(6,21-13)14-7-8-15-16(11-14)18(4,5)10-9-17(15,2)3/h7-8,11,13H,9-10,12H2,1-6H3
InChIKey
JEPWTUCYPWOCQV-UHFFFAOYSA-N
Compound name
2,4-dimethyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

570
Patents

288.20892 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.216196 164.7
[M+Na]+ 311.198138 173.6
[M-H]- 287.201644 173.8
[M+NH4]+ 306.242743 187.2
[M+K]+ 327.172078 172.4
[M+H-H2O]+ 271.206180 159.7
[M+HCOO]- 333.207121 180.8
[M+CH3COO]- 347.222771 177.5
[M+Na-2H]- 309.183586 169.2
[M]+ 288.20837142 166.2
[M]- 288.20946858 166.2
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