CID 76952

2-(4-butoxyphenyl)acetamide

Structural Information

Molecular Formula
C12H17NO2
SMILES
CCCCOC1=CC=C(C=C1)CC(=O)N
InChI
InChI=1S/C12H17NO2/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H2,13,14)
InChIKey
RSMPEQBSFXBQMJ-UHFFFAOYSA-N
Compound name
2-(4-butoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

6
Patents

207.12593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.13321 147.6
[M+Na]+ 230.11515 158.5
[M+NH4]+ 225.15975 155.1
[M+K]+ 246.08909 152.3
[M-H]- 206.11865 149.6
[M+Na-2H]- 228.10060 153.2
[M]+ 207.12538 149.5
[M]- 207.12648 149.5
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