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

10
Patents

224.09496 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.102236 154.4
[M+Na]+ 247.084178 164.4
[M-H]- 223.087684 159.5
[M+NH4]+ 242.128783 170.1
[M+K]+ 263.058118 158.8
[M+H-H2O]+ 207.092220 140.6
[M+HCOO]- 269.093161 175.4
[M+CH3COO]- 283.108811 202.9
[M+Na-2H]- 245.069626 159.3
[M]+ 224.09441142 148.6
[M]- 224.09550858 148.6
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