CID 111419

2-amino-5-(5-propyldecoxy)pentanenitrile

Structural Information

Molecular Formula
C18H36N2O
SMILES
CCCCCC(CCC)CCCCOCCCC(C#N)N
InChI
InChI=1S/C18H36N2O/c1-3-5-6-11-17(10-4-2)12-7-8-14-21-15-9-13-18(20)16-19/h17-18H,3-15,20H2,1-2H3
InChIKey
IKWFYOACMNKSIK-UHFFFAOYSA-N
Compound name
2-amino-5-(5-propyldecoxy)pentanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.28278 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.290056 174.9
[M+Na]+ 319.271998 178.1
[M-H]- 295.275504 173.3
[M+NH4]+ 314.316603 188.3
[M+K]+ 335.245938 175.9
[M+H-H2O]+ 279.280040 161.5
[M+HCOO]- 341.280981 190.6
[M+CH3COO]- 355.296631 221.3
[M+Na-2H]- 317.257446 173.2
[M]+ 296.28223142 173.7
[M]- 296.28332858 173.7
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.