CID 22280894

2-(2-ethoxyphenoxy)acetonitrile

Structural Information

Molecular Formula
C10H11NO2
SMILES
CCOC1=CC=CC=C1OCC#N
InChI
InChI=1S/C10H11NO2/c1-2-12-9-5-3-4-6-10(9)13-8-7-11/h3-6H,2,8H2,1H3
InChIKey
RYGLXLASOOYKGS-UHFFFAOYSA-N
Compound name
2-(2-ethoxyphenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

177.07898 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 135.7
[M+Na]+ 200.068198 145.7
[M-H]- 176.071704 139.0
[M+NH4]+ 195.112803 154.0
[M+K]+ 216.042138 143.4
[M+H-H2O]+ 160.076240 123.4
[M+HCOO]- 222.077181 156.8
[M+CH3COO]- 236.092831 193.1
[M+Na-2H]- 198.053646 142.4
[M]+ 177.07843142 133.9
[M]- 177.07952858 133.9
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