CID 5241082

2-(2-phenylethoxy)acetonitrile

Structural Information

Molecular Formula
C10H11NO
SMILES
C1=CC=C(C=C1)CCOCC#N
InChI
InChI=1S/C10H11NO/c11-7-9-12-8-6-10-4-2-1-3-5-10/h1-5H,6,8-9H2
InChIKey
UHWSKAOKIQUUAX-UHFFFAOYSA-N
Compound name
2-(2-phenylethoxy)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 136.4
[M+Na]+ 184.07328 148.8
[M+NH4]+ 179.11788 141.9
[M+K]+ 200.04722 138.4
[M-H]- 160.07678 131.6
[M+Na-2H]- 182.05873 141.4
[M]+ 161.08351 136.0
[M]- 161.08461 136.0
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

No patent data available for this compound.