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
2
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]+ 311.305676 173.7
[M+Na]+ 333.287618 177.0
[M-H]- 309.291124 172.3
[M+NH4]+ 328.332223 187.0
[M+K]+ 349.261558 174.0
[M+H-H2O]+ 293.295660 160.1
[M+HCOO]- 355.296601 191.5
[M+CH3COO]- 369.312251 223.2
[M+Na-2H]- 331.273066 175.1
[M]+ 310.29785142 175.1
[M]- 310.29894858 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.