CID 109895

3-(3-tridecoxypropylamino)propanenitrile

Structural Information

Molecular Formula
C19H38N2O
SMILES
CCCCCCCCCCCCCOCCCNCCC#N
InChI
InChI=1S/C19H38N2O/c1-2-3-4-5-6-7-8-9-10-11-12-18-22-19-14-17-21-16-13-15-20/h21H,2-14,16-19H2,1H3
InChIKey
NYRMZTSOGRXXIL-UHFFFAOYSA-N
Compound name
3-(3-tridecoxypropylamino)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.2984 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.30568 180.0
[M+Na]+ 333.28762 186.9
[M+NH4]+ 328.33222 182.5
[M+K]+ 349.26156 175.5
[M-H]- 309.29112 172.6
[M+Na-2H]- 331.27307 178.8
[M]+ 310.29785 177.8
[M]- 310.29895 177.8
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

No patent data available for this compound.