CID 18789699

(3-aminophenoxy)acetonitrile

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC(=CC(=C1)OCC#N)N
InChI
InChI=1S/C8H8N2O/c9-4-5-11-8-3-1-2-7(10)6-8/h1-3,6H,5,10H2
InChIKey
BIHMHFUQWCIATN-UHFFFAOYSA-N
Compound name
2-(3-aminophenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

148.06366 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 132.7
[M+Na]+ 171.05288 144.3
[M+NH4]+ 166.09748 137.8
[M+K]+ 187.02682 135.1
[M-H]- 147.05638 128.0
[M+Na-2H]- 169.03833 137.2
[M]+ 148.06311 132.1
[M]- 148.06421 132.1
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

patents stripe