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]+ 305.247506 173.5
[M+Na]+ 327.229448 180.9
[M-H]- 303.232954 177.8
[M+NH4]+ 322.274053 194.5
[M+K]+ 343.203388 178.3
[M+H-H2O]+ 287.237490 168.0
[M+HCOO]- 349.238431 190.7
[M+CH3COO]- 363.254081 211.2
[M+Na-2H]- 325.214896 175.6
[M]+ 304.23968142 177.7
[M]- 304.24077858 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