CID 6422401

4-(aminooxy)benzonitrile

Structural Information

Molecular Formula
C7H6N2O
SMILES
C1=CC(=CC=C1C#N)ON
InChI
InChI=1S/C7H6N2O/c8-5-6-1-3-7(10-9)4-2-6/h1-4H,9H2
InChIKey
KJYWSKLWGHSQEP-UHFFFAOYSA-N
Compound name
4-aminooxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

134.04802 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 128.6
[M+Na]+ 157.03724 140.4
[M+NH4]+ 152.08184 133.9
[M+K]+ 173.01118 131.4
[M-H]- 133.04074 124.0
[M+Na-2H]- 155.02269 133.4
[M]+ 134.04747 128.1
[M]- 134.04857 128.1
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