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
3
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 155.6
[M+Na]+ 281.18758 166.4
[M-H]- 257.19108 161.2
[M+NH4]+ 276.23218 179.3
[M+K]+ 297.16152 162.8
[M+H-H2O]+ 241.19562 151.3
[M+HCOO]- 303.19656 174.6
[M+CH3COO]- 317.21221 204.1
[M+Na-2H]- 279.17303 159.1
[M]+ 258.19781 158.5
[M]- 258.19891 158.5
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