CID 5128602

1-(4-ethyl-phenyl)-dodecan-1-one

Structural Information

Molecular Formula
C20H32O
SMILES
CCCCCCCCCCCC(=O)C1=CC=C(C=C1)CC
InChI
InChI=1S/C20H32O/c1-3-5-6-7-8-9-10-11-12-13-20(21)19-16-14-18(4-2)15-17-19/h14-17H,3-13H2,1-2H3
InChIKey
MERHMMZDRRQZDQ-UHFFFAOYSA-N
Compound name
1-(4-ethylphenyl)dodecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.24533 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.252606 176.5
[M+Na]+ 311.234548 180.1
[M-H]- 287.238054 178.4
[M+NH4]+ 306.279153 192.3
[M+K]+ 327.208488 175.9
[M+H-H2O]+ 271.242590 169.0
[M+HCOO]- 333.243531 196.7
[M+CH3COO]- 347.259181 207.6
[M+Na-2H]- 309.219996 176.7
[M]+ 288.24478142 180.9
[M]- 288.24587858 180.9
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

No patent data available for this compound.