CID 98769

N-(4-methylphenyl)octanamide

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCCCCC(=O)NC1=CC=C(C=C1)C
InChI
InChI=1S/C15H23NO/c1-3-4-5-6-7-8-15(17)16-14-11-9-13(2)10-12-14/h9-12H,3-8H2,1-2H3,(H,16,17)
InChIKey
ICXCDRKZZJDRRR-UHFFFAOYSA-N
Compound name
N-(4-methylphenyl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

233.17796 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.18524 158.0
[M+Na]+ 256.16718 163.0
[M-H]- 232.17068 160.9
[M+NH4]+ 251.21178 175.9
[M+K]+ 272.14112 160.0
[M+H-H2O]+ 216.17522 151.1
[M+HCOO]- 278.17616 181.1
[M+CH3COO]- 292.19181 196.8
[M+Na-2H]- 254.15263 161.3
[M]+ 233.17741 159.8
[M]- 233.17851 159.8
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