CID 77227

N-(4-butylphenyl)acetamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CCCCC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C12H17NO/c1-3-4-5-11-6-8-12(9-7-11)13-10(2)14/h6-9H,3-5H2,1-2H3,(H,13,14)
InChIKey
GDQKURDANTWHBA-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

65
Patents

191.13101 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 144.1
[M+Na]+ 214.12023 150.4
[M-H]- 190.12373 147.6
[M+NH4]+ 209.16483 163.7
[M+K]+ 230.09417 148.2
[M+H-H2O]+ 174.12827 137.9
[M+HCOO]- 236.12921 168.2
[M+CH3COO]- 250.14486 187.7
[M+Na-2H]- 212.10568 149.1
[M]+ 191.13046 144.8
[M]- 191.13156 144.8
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