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

511
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 154.7
[M+Na]+ 267.17193 164.1
[M-H]- 243.17543 159.7
[M+NH4]+ 262.21653 178.3
[M+K]+ 283.14587 160.4
[M+H-H2O]+ 227.17997 149.8
[M+HCOO]- 289.18091 174.0
[M+CH3COO]- 303.19656 198.6
[M+Na-2H]- 265.15738 159.6
[M]+ 244.18216 156.3
[M]- 244.18326 156.3
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