CID 295086

2',5'-dimethyloctananilide

Structural Information

Molecular Formula
C16H25NO
SMILES
CCCCCCCC(=O)NC1=C(C=CC(=C1)C)C
InChI
InChI=1S/C16H25NO/c1-4-5-6-7-8-9-16(18)17-15-12-13(2)10-11-14(15)3/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKey
WGHCRXJXYPIUNA-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylphenyl)octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.20090 162.1
[M+Na]+ 270.18284 167.7
[M-H]- 246.18634 165.2
[M+NH4]+ 265.22744 179.7
[M+K]+ 286.15678 164.4
[M+H-H2O]+ 230.19088 155.3
[M+HCOO]- 292.19182 184.8
[M+CH3COO]- 306.20747 200.9
[M+Na-2H]- 268.16829 164.2
[M]+ 247.19307 164.6
[M]- 247.19417 164.6
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.