CID 44145149

Acetamide, 2-hydroxy-n-[3-(octyloxy)propyl]-

Structural Information

Molecular Formula
C13H27NO3
SMILES
CCCCCCCCOCCCNC(=O)CO
InChI
InChI=1S/C13H27NO3/c1-2-3-4-5-6-7-10-17-11-8-9-14-13(16)12-15/h15H,2-12H2,1H3,(H,14,16)
InChIKey
KFVKGCFXEKFSJU-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(3-octoxypropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

245.1991 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.20638 163.2
[M+Na]+ 268.18832 166.2
[M-H]- 244.19182 160.7
[M+NH4]+ 263.23292 179.6
[M+K]+ 284.16226 164.5
[M+H-H2O]+ 228.19636 156.8
[M+HCOO]- 290.19730 184.1
[M+CH3COO]- 304.21295 195.7
[M+Na-2H]- 266.17377 165.0
[M]+ 245.19855 167.3
[M]- 245.19965 167.3
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.