CID 15326528

3-(aminooxy)benzonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.04802 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05530 127.0
[M+Na]+ 157.03724 137.3
[M-H]- 133.04074 130.2
[M+NH4]+ 152.08184 146.3
[M+K]+ 173.01118 135.0
[M+H-H2O]+ 117.04528 115.0
[M+HCOO]- 179.04622 149.0
[M+CH3COO]- 193.06187 186.8
[M+Na-2H]- 155.02269 134.1
[M]+ 134.04747 121.2
[M]- 134.04857 121.2
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