CID 85534

N-(2,6-diethylphenyl)acetamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CCC1=C(C(=CC=C1)CC)NC(=O)C
InChI
InChI=1S/C12H17NO/c1-4-10-7-6-8-11(5-2)12(10)13-9(3)14/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey
SNPZDXACCGIJNK-UHFFFAOYSA-N
Compound name
N-(2,6-diethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

191.13101 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.5
[M+Na]+ 214.12023 150.8
[M-H]- 190.12373 147.4
[M+NH4]+ 209.16483 163.4
[M+K]+ 230.09417 148.5
[M+H-H2O]+ 174.12827 137.5
[M+HCOO]- 236.12921 167.6
[M+CH3COO]- 250.14486 188.8
[M+Na-2H]- 212.10568 147.8
[M]+ 191.13046 144.6
[M]- 191.13156 144.6
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