CID 104402

Propanenitrile, 3,3'-((2-((2-cyanoethoxy)methyl)-2-ethyl-1,3-propanediyl)bis(oxy))bis-

Structural Information

Molecular Formula
C15H23N3O3
SMILES
CCC(COCCC#N)(COCCC#N)COCCC#N
InChI
InChI=1S/C15H23N3O3/c1-2-15(12-19-9-3-6-16,13-20-10-4-7-17)14-21-11-5-8-18/h2-5,9-14H2,1H3
InChIKey
MVIGWYTVWUNJIO-UHFFFAOYSA-N
Compound name
3-[2,2-bis(2-cyanoethoxymethyl)butoxy]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

293.17395 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18123 169.5
[M+Na]+ 316.16317 175.2
[M-H]- 292.16667 172.6
[M+NH4]+ 311.20777 175.9
[M+K]+ 332.13711 174.4
[M+H-H2O]+ 276.17121 156.7
[M+HCOO]- 338.17215 174.5
[M+CH3COO]- 352.18780 241.7
[M+Na-2H]- 314.14862 168.7
[M]+ 293.17340 164.9
[M]- 293.17450 164.9
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

patents stripe