CID 200509

Acetophenone, 4'-(dodecyloxy)-

Structural Information

Molecular Formula
C20H32O2
SMILES
CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C20H32O2/c1-3-4-5-6-7-8-9-10-11-12-17-22-20-15-13-19(14-16-20)18(2)21/h13-16H,3-12,17H2,1-2H3
InChIKey
KOWOOZSAKAPHCW-UHFFFAOYSA-N
Compound name
1-(4-dodecoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

304.24023 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.24751 179.9
[M+Na]+ 327.22945 183.4
[M-H]- 303.23295 181.7
[M+NH4]+ 322.27405 194.9
[M+K]+ 343.20339 179.7
[M+H-H2O]+ 287.23749 172.1
[M+HCOO]- 349.23843 200.3
[M+CH3COO]- 363.25408 209.5
[M+Na-2H]- 325.21490 180.1
[M]+ 304.23968 185.7
[M]- 304.24078 185.7
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