CID 22861286

2-naphthalenecarboxaldehyde, 5,6,7,8-tetrahydro-3,5,5,6,7,8,8-heptamethyl-, (6r,7r)-rel-

Structural Information

Molecular Formula
C18H26O
SMILES
C[C@@H]1[C@H](C(C2=C(C1(C)C)C=C(C(=C2)C=O)C)(C)C)C
InChI
InChI=1S/C18H26O/c1-11-8-15-16(9-14(11)10-19)18(6,7)13(3)12(2)17(15,4)5/h8-10,12-13H,1-7H3/t12-,13-/m1/s1
InChIKey
ZIASQZKMMDNGSU-CHWSQXEVSA-N
Compound name
(6R,7R)-3,5,5,6,7,8,8-heptamethyl-6,7-dihydronaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

258.19836 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20564 160.8
[M+Na]+ 281.18758 175.3
[M+NH4]+ 276.23218 173.0
[M+K]+ 297.16152 163.4
[M-H]- 257.19108 164.5
[M+Na-2H]- 279.17303 168.6
[M]+ 258.19781 164.5
[M]- 258.19891 164.5
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