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]+ 156.10192 130.7
[M+Na]+ 178.08386 138.7
[M-H]- 154.08736 133.9
[M+NH4]+ 173.12846 149.8
[M+K]+ 194.05780 138.3
[M+H-H2O]+ 138.09190 118.6
[M+HCOO]- 200.09284 148.7
[M+CH3COO]- 214.10849 188.1
[M+Na-2H]- 176.06931 135.2
[M]+ 155.09409 126.0
[M]- 155.09519 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.