CID 44144994

Propanenitrile, 3-((3-(tetradecyloxy)propyl)amino)-

Structural Information

Molecular Formula
C20H40N2O
SMILES
CCCCCCCCCCCCCCOCCCNCCC#N
InChI
InChI=1S/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-23-20-15-18-22-17-14-16-21/h22H,2-15,17-20H2,1H3
InChIKey
XDDXXOGSAJFOCB-UHFFFAOYSA-N
Compound name
3-(3-tetradecoxypropylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

324.31406 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.32134 177.4
[M+Na]+ 347.30328 180.3
[M-H]- 323.30678 175.8
[M+NH4]+ 342.34788 190.2
[M+K]+ 363.27722 177.1
[M+H-H2O]+ 307.31132 163.6
[M+HCOO]- 369.31226 194.9
[M+CH3COO]- 383.32791 225.8
[M+Na-2H]- 345.28873 178.4
[M]+ 324.31351 179.1
[M]- 324.31461 179.1
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.