CID 42674

58243-85-9

Structural Information

Molecular Formula
C17H24O
SMILES
CCC1=CC2=C(C=C1C=O)C(CCC2(C)C)(C)C
InChI
InChI=1S/C17H24O/c1-6-12-9-14-15(10-13(12)11-18)17(4,5)8-7-16(14,2)3/h9-11H,6-8H2,1-5H3
InChIKey
QCWQUWUCARNNRI-UHFFFAOYSA-N
Compound name
3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

508
Patents

244.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18999 157.7
[M+Na]+ 267.17193 171.7
[M+NH4]+ 262.21653 170.1
[M+K]+ 283.14587 159.5
[M-H]- 243.17543 161.3
[M+Na-2H]- 265.15738 166.1
[M]+ 244.18216 161.3
[M]- 244.18326 161.3
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