CID 174766

2-naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-1-methoxy-3,5,5,8,8-pentamethyl-

Structural Information

Molecular Formula
C17H24O2
SMILES
CC1=CC2=C(C(=C1C=O)OC)C(CCC2(C)C)(C)C
InChI
InChI=1S/C17H24O2/c1-11-9-13-14(15(19-6)12(11)10-18)17(4,5)8-7-16(13,2)3/h9-10H,7-8H2,1-6H3
InChIKey
WPUPOYSDTDHCGJ-UHFFFAOYSA-N
Compound name
1-methoxy-3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

260.17764 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.184916 156.6
[M+Na]+ 283.166858 166.9
[M-H]- 259.170364 162.0
[M+NH4]+ 278.211463 179.8
[M+K]+ 299.140798 163.9
[M+H-H2O]+ 243.174900 152.0
[M+HCOO]- 305.175841 176.2
[M+CH3COO]- 319.191491 201.9
[M+Na-2H]- 281.152306 161.2
[M]+ 260.17709142 160.3
[M]- 260.17818858 160.3
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