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

11
Patents

238.11061 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 159.8
[M+Na]+ 261.099828 168.2
[M-H]- 237.103334 164.3
[M+NH4]+ 256.144433 174.5
[M+K]+ 277.073768 162.7
[M+H-H2O]+ 221.107870 145.6
[M+HCOO]- 283.108811 179.5
[M+CH3COO]- 297.124461 205.3
[M+Na-2H]- 259.085276 163.6
[M]+ 238.11006142 153.4
[M]- 238.11115858 153.4
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