CID 66070893

2-ethoxy-2-(oxan-4-yl)acetonitrile

Structural Information

Molecular Formula
C9H15NO2
SMILES
CCOC(C#N)C1CCOCC1
InChI
InChI=1S/C9H15NO2/c1-2-12-9(7-10)8-3-5-11-6-4-8/h8-9H,2-6H2,1H3
InChIKey
ZQNWQOJPKDWENI-UHFFFAOYSA-N
Compound name
2-ethoxy-2-(oxan-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.11028 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.11756 133.5
[M+Na]+ 192.09950 140.3
[M-H]- 168.10300 136.5
[M+NH4]+ 187.14410 150.6
[M+K]+ 208.07344 139.9
[M+H-H2O]+ 152.10754 121.3
[M+HCOO]- 214.10848 149.5
[M+CH3COO]- 228.12413 191.0
[M+Na-2H]- 190.08495 138.8
[M]+ 169.10973 127.3
[M]- 169.11083 127.3
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.