CID 16795875

3-[(3-aminophenoxy)methyl]benzonitrile hydrochloride

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC(=CC(=C1)C#N)COC2=CC=CC(=C2)N
InChI
InChI=1S/C14H12N2O/c15-9-11-3-1-4-12(7-11)10-17-14-6-2-5-13(16)8-14/h1-8H,10,16H2
InChIKey
XRNLICHNZSWAFL-UHFFFAOYSA-N
Compound name
3-[(3-aminophenoxy)methyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

224.09496 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 154.3
[M+Na]+ 247.08418 167.8
[M+NH4]+ 242.12878 159.6
[M+K]+ 263.05812 156.8
[M-H]- 223.08768 152.0
[M+Na-2H]- 245.06963 160.7
[M]+ 224.09441 154.8
[M]- 224.09551 154.8
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