CID 347702

N-(2,4-dimethylphenyl)propanamide

Structural Information

Molecular Formula
C11H15NO
SMILES
CCC(=O)NC1=C(C=C(C=C1)C)C
InChI
InChI=1S/C11H15NO/c1-4-11(13)12-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3,(H,12,13)
InChIKey
HQYJBDRADQYZIZ-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

177.11537 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.12265 139.7
[M+Na]+ 200.10459 152.1
[M+NH4]+ 195.14919 148.2
[M+K]+ 216.07853 145.5
[M-H]- 176.10809 142.5
[M+Na-2H]- 198.09004 146.3
[M]+ 177.11482 142.2
[M]- 177.11592 142.2
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