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 133.8
[M+Na]+ 184.07328 143.1
[M-H]- 160.07678 136.8
[M+NH4]+ 179.11788 152.5
[M+K]+ 200.04722 140.1
[M+H-H2O]+ 144.08132 121.5
[M+HCOO]- 206.08226 154.7
[M+CH3COO]- 220.09791 190.3
[M+Na-2H]- 182.05873 141.1
[M]+ 161.08351 130.3
[M]- 161.08461 130.3
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