CID 102185203

Ns00132868

Structural Information

Molecular Formula
C18H26O2
SMILES
CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)OC)C)(C)C
InChI
InChI=1S/C18H26O2/c1-11-8-15-14(9-13(11)16(19)20-7)17(3,4)10-12(2)18(15,5)6/h8-9,12H,10H2,1-7H3
InChIKey
DOVWRJVWCZWCEB-UHFFFAOYSA-N
Compound name
methyl 3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.19327 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.200546 160.9
[M+Na]+ 297.182488 170.5
[M-H]- 273.185994 166.1
[M+NH4]+ 292.227093 183.5
[M+K]+ 313.156428 167.9
[M+H-H2O]+ 257.190530 156.3
[M+HCOO]- 319.191471 179.0
[M+CH3COO]- 333.207121 205.1
[M+Na-2H]- 295.167936 163.8
[M]+ 274.19272142 164.1
[M]- 274.19381858 164.1
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

No patent data available for this compound.