CID 238998

3-(2-phenoxyethoxy)propanenitrile

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1=CC=C(C=C1)OCCOCCC#N
InChI
InChI=1S/C11H13NO2/c12-7-4-8-13-9-10-14-11-5-2-1-3-6-11/h1-3,5-6H,4,8-10H2
InChIKey
NQTRXOUSMJGMAC-UHFFFAOYSA-N
Compound name
3-(2-phenoxyethoxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

191.09464 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 140.1
[M+Na]+ 214.083858 148.9
[M-H]- 190.087364 142.9
[M+NH4]+ 209.128463 157.6
[M+K]+ 230.057798 146.2
[M+H-H2O]+ 174.091900 127.3
[M+HCOO]- 236.092841 160.9
[M+CH3COO]- 250.108491 194.8
[M+Na-2H]- 212.069306 146.9
[M]+ 191.09409142 138.2
[M]- 191.09518858 138.2
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