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

27
Patents

304.24023 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.247506 179.9
[M+Na]+ 327.229448 183.4
[M-H]- 303.232954 181.7
[M+NH4]+ 322.274053 194.9
[M+K]+ 343.203388 179.7
[M+H-H2O]+ 287.237490 172.1
[M+HCOO]- 349.238431 200.3
[M+CH3COO]- 363.254081 209.5
[M+Na-2H]- 325.214896 180.1
[M]+ 304.23968142 185.7
[M]- 304.24077858 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

literature stripe

Patent stripe

patents stripe