CID 579491

4-methoxyphenoxyacetonitrile

Structural Information

Molecular Formula
C9H9NO2
SMILES
COC1=CC=C(C=C1)OCC#N
InChI
InChI=1S/C9H9NO2/c1-11-8-2-4-9(5-3-8)12-7-6-10/h2-5H,7H2,1H3
InChIKey
SNADCCRKYFVIEJ-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

163.06332 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.070596 131.6
[M+Na]+ 186.052538 142.0
[M-H]- 162.056044 135.2
[M+NH4]+ 181.097143 150.5
[M+K]+ 202.026478 140.0
[M+H-H2O]+ 146.060580 119.5
[M+HCOO]- 208.061521 153.1
[M+CH3COO]- 222.077171 190.3
[M+Na-2H]- 184.037986 138.8
[M]+ 163.06277142 129.5
[M]- 163.06386858 129.5
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