CID 3563431

6-ethyl-7-methoxymethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethylnaphthalene

Structural Information

Molecular Formula
C18H28O
SMILES
CCC1=CC2=C(C=C1COC)C(CCC2(C)C)(C)C
InChI
InChI=1S/C18H28O/c1-7-13-10-15-16(11-14(13)12-19-6)18(4,5)9-8-17(15,2)3/h10-11H,7-9,12H2,1-6H3
InChIKey
RGKGGXIXFICQEV-UHFFFAOYSA-N
Compound name
6-ethyl-7-(methoxymethyl)-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.21402 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.22130 160.9
[M+Na]+ 283.20324 169.6
[M-H]- 259.20674 165.7
[M+NH4]+ 278.24784 183.9
[M+K]+ 299.17718 166.3
[M+H-H2O]+ 243.21128 155.7
[M+HCOO]- 305.21222 179.7
[M+CH3COO]- 319.22787 202.4
[M+Na-2H]- 281.18869 165.3
[M]+ 260.21347 163.6
[M]- 260.21457 163.6
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