CID 3041675

N-(2-methylphenyl)octanamide

Structural Information

Molecular Formula
C15H23NO
SMILES
CCCCCCCC(=O)NC1=CC=CC=C1C
InChI
InChI=1S/C15H23NO/c1-3-4-5-6-7-12-15(17)16-14-11-9-8-10-13(14)2/h8-11H,3-7,12H2,1-2H3,(H,16,17)
InChIKey
RZCOIEXJPRQABI-UHFFFAOYSA-N
Compound name
N-(2-methylphenyl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

233.17796 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.185236 158.0
[M+Na]+ 256.167178 163.0
[M-H]- 232.170684 160.9
[M+NH4]+ 251.211783 175.9
[M+K]+ 272.141118 160.0
[M+H-H2O]+ 216.175220 151.1
[M+HCOO]- 278.176161 181.1
[M+CH3COO]- 292.191811 196.8
[M+Na-2H]- 254.152626 161.3
[M]+ 233.17741142 159.8
[M]- 233.17850858 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

No literature data available for this compound.

Patent stripe

patents stripe