CID 14074422

4-[(aminooxy)methyl]benzonitrile hydrochloride

Structural Information

Molecular Formula
C8H8N2O
SMILES
C1=CC(=CC=C1CON)C#N
InChI
InChI=1S/C8H8N2O/c9-5-7-1-3-8(4-2-7)6-11-10/h1-4H,6,10H2
InChIKey
ATBANLOLDZIUOW-UHFFFAOYSA-N
Compound name
4-(aminooxymethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

148.06366 Da
Monoisotopic Mass

0.5
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

literature stripe

Patent stripe

patents stripe