CID 4304236

N-(4-butyrylphenyl)acetamide

Structural Information

Molecular Formula
C12H15NO2
SMILES
CCCC(=O)C1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C12H15NO2/c1-3-4-12(15)10-5-7-11(8-6-10)13-9(2)14/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKey
NYUNVUICRAJDLH-UHFFFAOYSA-N
Compound name
N-(4-butanoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

205.11028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.117556 146.2
[M+Na]+ 228.099498 152.5
[M-H]- 204.103004 149.8
[M+NH4]+ 223.144103 164.9
[M+K]+ 244.073438 150.6
[M+H-H2O]+ 188.107540 139.9
[M+HCOO]- 250.108481 169.7
[M+CH3COO]- 264.124131 189.7
[M+Na-2H]- 226.084946 149.9
[M]+ 205.10973142 146.9
[M]- 205.11082858 146.9
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