CID 44984

2-(1-ethoxyethoxy)pent-4-enenitrile

Structural Information

Molecular Formula
C9H15NO2
SMILES
CCOC(C)OC(CC=C)C#N
InChI
InChI=1S/C9H15NO2/c1-4-6-9(7-10)12-8(3)11-5-2/h4,8-9H,1,5-6H2,2-3H3
InChIKey
BZXGDVWJHHQIML-UHFFFAOYSA-N
Compound name
2-(1-ethoxyethoxy)pent-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 136.1
[M+Na]+ 192.09950 143.9
[M-H]- 168.10300 136.7
[M+NH4]+ 187.14410 154.7
[M+K]+ 208.07344 143.8
[M+H-H2O]+ 152.10754 124.7
[M+HCOO]- 214.10848 154.6
[M+CH3COO]- 228.12413 194.4
[M+Na-2H]- 190.08495 139.5
[M]+ 169.10973 134.3
[M]- 169.11083 134.3
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.