CID 211070

22179-48-2

Structural Information

Molecular Formula
C16H23NO2
SMILES
CCCC(CCC)C(=O)NC1=CC=C(C=C1)C(=O)C
InChI
InChI=1S/C16H23NO2/c1-4-6-14(7-5-2)16(19)17-15-10-8-13(9-11-15)12(3)18/h8-11,14H,4-7H2,1-3H3,(H,17,19)
InChIKey
PBMAMEVDIRQQJN-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 165.0
[M+Na]+ 284.16210 169.3
[M-H]- 260.16560 167.8
[M+NH4]+ 279.20670 181.3
[M+K]+ 300.13604 166.9
[M+H-H2O]+ 244.17014 158.0
[M+HCOO]- 306.17108 186.1
[M+CH3COO]- 320.18673 202.7
[M+Na-2H]- 282.14755 165.3
[M]+ 261.17233 166.6
[M]- 261.17343 166.6
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.