CID 58981

N-(3-methoxypropyl)nonanamide

Structural Information

Molecular Formula
C13H27NO2
SMILES
CCCCCCCCC(=O)NCCCOC
InChI
InChI=1S/C13H27NO2/c1-3-4-5-6-7-8-10-13(15)14-11-9-12-16-2/h3-12H2,1-2H3,(H,14,15)
InChIKey
PGKBAAFWUHBGET-UHFFFAOYSA-N
Compound name
N-(3-methoxypropyl)nonanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.20418 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.21146 160.3
[M+Na]+ 252.19340 163.8
[M-H]- 228.19690 159.3
[M+NH4]+ 247.23800 178.2
[M+K]+ 268.16734 162.5
[M+H-H2O]+ 212.20144 153.9
[M+HCOO]- 274.20238 182.5
[M+CH3COO]- 288.21803 196.4
[M+Na-2H]- 250.17885 162.6
[M]+ 229.20363 164.9
[M]- 229.20473 164.9
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.