CID 199523

4344-66-5

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCC(CCC)C(=O)NC1=C(C=C(C=C1)C)C
InChI
InChI=1S/C16H25NO/c1-5-7-14(8-6-2)16(18)17-15-10-9-12(3)11-13(15)4/h9-11,14H,5-8H2,1-4H3,(H,17,18)
InChIKey
DMJMAXVDYQZRKF-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 162.4
[M+Na]+ 270.182838 167.7
[M-H]- 246.186344 165.6
[M+NH4]+ 265.227443 179.9
[M+K]+ 286.156778 164.9
[M+H-H2O]+ 230.190880 155.7
[M+HCOO]- 292.191821 184.1
[M+CH3COO]- 306.207471 201.8
[M+Na-2H]- 268.168286 163.2
[M]+ 247.19307142 164.3
[M]- 247.19416858 164.3
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.