CID 1769471

N-[2-(4-methoxyphenyl)ethyl]pentanamide

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCCCC(=O)NCCC1=CC=C(C=C1)OC
InChI
InChI=1S/C14H21NO2/c1-3-4-5-14(16)15-11-10-12-6-8-13(17-2)9-7-12/h6-9H,3-5,10-11H2,1-2H3,(H,15,16)
InChIKey
UHNCCEHCPKJOGW-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenyl)ethyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

235.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 156.6
[M+Na]+ 258.14645 161.9
[M-H]- 234.14995 159.6
[M+NH4]+ 253.19105 174.2
[M+K]+ 274.12039 159.7
[M+H-H2O]+ 218.15449 149.6
[M+HCOO]- 280.15543 180.2
[M+CH3COO]- 294.17108 195.7
[M+Na-2H]- 256.13190 160.4
[M]+ 235.15668 159.4
[M]- 235.15778 159.4
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