CID 66071518

2-ethoxy-2-(oxolan-3-yl)acetonitrile

Structural Information

Molecular Formula
C8H13NO2
SMILES
CCOC(C#N)C1CCOC1
InChI
InChI=1S/C8H13NO2/c1-2-11-8(5-9)7-3-4-10-6-7/h7-8H,2-4,6H2,1H3
InChIKey
SUWKMRZQXXQNEK-UHFFFAOYSA-N
Compound name
2-ethoxy-2-(oxolan-3-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.09464 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.101916 130.7
[M+Na]+ 178.083858 138.7
[M-H]- 154.087364 133.9
[M+NH4]+ 173.128463 149.8
[M+K]+ 194.057798 138.3
[M+H-H2O]+ 138.091900 118.6
[M+HCOO]- 200.092841 148.7
[M+CH3COO]- 214.108491 188.1
[M+Na-2H]- 176.069306 135.2
[M]+ 155.09409142 126.0
[M]- 155.09518858 126.0
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.