CID 143946

2-ethoxyacetonitrile

Structural Information

Molecular Formula
C4H7NO
SMILES
CCOCC#N
InChI
InChI=1S/C4H7NO/c1-2-6-4-3-5/h2,4H2,1H3
InChIKey
WPYUCWSMVJJWFI-UHFFFAOYSA-N
Compound name
2-ethoxyacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

457
Patents

85.052765 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.060041 111.3
[M+Na]+ 108.04198 121.2
[M-H]- 84.045489 112.7
[M+NH4]+ 103.08659 133.2
[M+K]+ 124.01592 121.7
[M+H-H2O]+ 68.050025 100.9
[M+HCOO]- 130.05097 132.7
[M+CH3COO]- 144.06662 178.5
[M+Na-2H]- 106.02743 119.7
[M]+ 85.052216 108.5
[M]- 85.053314 108.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe