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

4
Annotation Hits: 0
References: 481
Patents: 244.18271 Da
Monoisotopic Mass: 5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.189986	154.7
[M+Na]+	267.171928	164.1
[M-H]-	243.175434	159.7
[M+NH4]+	262.216533	178.3
[M+K]+	283.145868	160.4
[M+H-H2O]+	227.179970	149.8
[M+HCOO]-	289.180911	174.0
[M+CH3COO]-	303.196561	198.6
[M+Na-2H]-	265.157376	159.6
[M]+	244.18216142	156.3
[M]-	244.18325858	156.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe