CID 146049383

2411219-52-6

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC1=C(C=C(C=C1)OCC2CO2)C#N
InChI
InChI=1S/C11H11NO3/c1-13-11-3-2-9(4-8(11)5-12)14-6-10-7-15-10/h2-4,10H,6-7H2,1H3
InChIKey
PJCDBRHUAUSZTJ-UHFFFAOYSA-N
Compound name
2-methoxy-5-(oxiran-2-ylmethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 145.2
[M+Na]+ 228.06312 158.8
[M+NH4]+ 223.10772 150.5
[M+K]+ 244.03706 151.4
[M-H]- 204.06662 148.3
[M+Na-2H]- 226.04857 151.6
[M]+ 205.07335 148.3
[M]- 205.07445 148.3
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

No patent data available for this compound.