CID 19912838

Naphthalene, 7-(diethoxymethyl)-1,2,3,4-tetrahydro-1,1,2,4,4-pentamethyl-

Structural Information

Molecular Formula
C20H32O2
SMILES
CCOC(C1=CC2=C(C=C1)C(CC(C2(C)C)C)(C)C)OCC
InChI
InChI=1S/C20H32O2/c1-8-21-18(22-9-2)15-10-11-16-17(12-15)20(6,7)14(3)13-19(16,4)5/h10-12,14,18H,8-9,13H2,1-7H3
InChIKey
PRNGVWOCXLZHDQ-UHFFFAOYSA-N
Compound name
7-(diethoxymethyl)-1,1,2,4,4-pentamethyl-2,3-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

304.24023 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 173.5
[M+Na]+ 327.22945 180.9
[M-H]- 303.23295 177.8
[M+NH4]+ 322.27405 194.5
[M+K]+ 343.20339 178.3
[M+H-H2O]+ 287.23749 168.0
[M+HCOO]- 349.23843 190.7
[M+CH3COO]- 363.25408 211.2
[M+Na-2H]- 325.21490 175.6
[M]+ 304.23968 177.7
[M]- 304.24078 177.7
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