CID 16787200

2-amino-2-[4-(benzyloxy)phenyl]acetonitrile

Structural Information

Molecular Formula
C15H14N2O
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C#N)N
InChI
InChI=1S/C15H14N2O/c16-10-15(17)13-6-8-14(9-7-13)18-11-12-4-2-1-3-5-12/h1-9,15H,11,17H2
InChIKey
WGTALOBHAWUYTB-UHFFFAOYSA-N
Compound name
2-amino-2-(4-phenylmethoxyphenyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

238.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 159.4
[M+Na]+ 261.09983 172.1
[M+NH4]+ 256.14443 164.5
[M+K]+ 277.07377 161.4
[M-H]- 237.10333 156.8
[M+Na-2H]- 259.08528 165.4
[M]+ 238.11006 159.7
[M]- 238.11116 159.7
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