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

28
Patents

258.19836 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.205636 155.6
[M+Na]+ 281.187578 166.4
[M-H]- 257.191084 161.2
[M+NH4]+ 276.232183 179.3
[M+K]+ 297.161518 162.8
[M+H-H2O]+ 241.195620 151.3
[M+HCOO]- 303.196561 174.6
[M+CH3COO]- 317.212211 204.1
[M+Na-2H]- 279.173026 159.1
[M]+ 258.19781142 158.5
[M]- 258.19890858 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