CID 211071

Niosh/yv6035600

Structural Information

Molecular Formula
C17H25NO2
SMILES
CCCC(CCC)C(=O)NC1=CC=C(C=C1)C(=O)CC
InChI
InChI=1S/C17H25NO2/c1-4-7-14(8-5-2)17(20)18-15-11-9-13(10-12-15)16(19)6-3/h9-12,14H,4-8H2,1-3H3,(H,18,20)
InChIKey
FBICRAIQQLWRBS-UHFFFAOYSA-N
Compound name
N-(4-propanoylphenyl)-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.19582 169.6
[M+Na]+ 298.17776 173.5
[M-H]- 274.18126 172.3
[M+NH4]+ 293.22236 185.4
[M+K]+ 314.15170 170.9
[M+H-H2O]+ 258.18580 162.4
[M+HCOO]- 320.18674 190.4
[M+CH3COO]- 334.20239 205.7
[M+Na-2H]- 296.16321 169.4
[M]+ 275.18799 171.6
[M]- 275.18909 171.6
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.