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

20
Patents

260.17764 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 156.6
[M+Na]+ 283.16686 166.9
[M-H]- 259.17036 162.0
[M+NH4]+ 278.21146 179.8
[M+K]+ 299.14080 163.9
[M+H-H2O]+ 243.17490 152.0
[M+HCOO]- 305.17584 176.2
[M+CH3COO]- 319.19149 201.9
[M+Na-2H]- 281.15231 161.2
[M]+ 260.17709 160.3
[M]- 260.17819 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