CID 75238

4-phenoxybutanenitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

161.08406 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe