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 154.4
[M+Na]+ 247.08418 164.4
[M-H]- 223.08768 159.5
[M+NH4]+ 242.12878 170.1
[M+K]+ 263.05812 158.8
[M+H-H2O]+ 207.09222 140.6
[M+HCOO]- 269.09316 175.4
[M+CH3COO]- 283.10881 202.9
[M+Na-2H]- 245.06963 159.3
[M]+ 224.09441 148.6
[M]- 224.09551 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