CID 458357

2-(2,4,6-trimethylphenyl)propanamide

Structural Information

Molecular Formula
C12H17NO
SMILES
CC1=CC(=C(C(=C1)C)C(C)C(=O)N)C
InChI
InChI=1S/C12H17NO/c1-7-5-8(2)11(9(3)6-7)10(4)12(13)14/h5-6,10H,1-4H3,(H2,13,14)
InChIKey
VHOPQYHYZWWDOL-UHFFFAOYSA-N
Compound name
2-(2,4,6-trimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

191.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.13829 143.3
[M+Na]+ 214.12023 151.2
[M-H]- 190.12373 147.1
[M+NH4]+ 209.16483 163.1
[M+K]+ 230.09417 149.1
[M+H-H2O]+ 174.12827 137.7
[M+HCOO]- 236.12921 165.7
[M+CH3COO]- 250.14486 191.0
[M+Na-2H]- 212.10568 144.6
[M]+ 191.13046 143.2
[M]- 191.13156 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.