CID 2454962

2-(4-aminophenoxy)acetonitrile

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC(=CC=C1N)OCC#N
InChI
InChI=1S/C8H8N2O/c9-5-6-11-8-3-1-7(10)2-4-8/h1-4H,6,10H2
InChIKey
XYLCZDWOYJRTGC-UHFFFAOYSA-N
Compound name
2-(4-aminophenoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

148.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07094 131.0
[M+Na]+ 171.05288 140.9
[M-H]- 147.05638 134.0
[M+NH4]+ 166.09748 149.7
[M+K]+ 187.02682 138.4
[M+H-H2O]+ 131.06092 118.8
[M+HCOO]- 193.06186 152.7
[M+CH3COO]- 207.07751 189.6
[M+Na-2H]- 169.03833 137.6
[M]+ 148.06311 125.5
[M]- 148.06421 125.5
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