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 173.7
[M+Na]+ 333.28762 177.0
[M-H]- 309.29112 172.3
[M+NH4]+ 328.33222 187.0
[M+K]+ 349.26156 174.0
[M+H-H2O]+ 293.29566 160.1
[M+HCOO]- 355.29660 191.5
[M+CH3COO]- 369.31225 223.2
[M+Na-2H]- 331.27307 175.1
[M]+ 310.29785 175.1
[M]- 310.29895 175.1
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.