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

7
Patents

191.13101 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.3
[M+Na]+ 214.120228 151.2
[M-H]- 190.123734 147.1
[M+NH4]+ 209.164833 163.1
[M+K]+ 230.094168 149.1
[M+H-H2O]+ 174.128270 137.7
[M+HCOO]- 236.129211 165.7
[M+CH3COO]- 250.144861 191.0
[M+Na-2H]- 212.105676 144.6
[M]+ 191.13046142 143.2
[M]- 191.13155858 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

patents stripe