CID 295549

N-(2,4,5-trimethylbenzyl)-acetamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=CC(=C(C=C1C)CNC(=O)C)C
InChI
InChI=1S/C12H17NO/c1-8-5-10(3)12(6-9(8)2)7-13-11(4)14/h5-6H,7H2,1-4H3,(H,13,14)
InChIKey
AOAZLRKQVKXBAX-UHFFFAOYSA-N
Compound name
N-[(2,4,5-trimethylphenyl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

191.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 142.7
[M+Na]+ 214.12023 151.0
[M-H]- 190.12373 147.1
[M+NH4]+ 209.16483 163.0
[M+K]+ 230.09417 148.8
[M+H-H2O]+ 174.12827 137.1
[M+HCOO]- 236.12921 166.8
[M+CH3COO]- 250.14486 190.0
[M+Na-2H]- 212.10568 146.4
[M]+ 191.13046 144.2
[M]- 191.13156 144.2
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