CID 146082118

2408958-36-9

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1C(O1)COC2=CC=C(C=C2)OCC#N
InChI
InChI=1S/C11H11NO3/c12-5-6-13-9-1-3-10(4-2-9)14-7-11-8-15-11/h1-4,11H,6-8H2
InChIKey
XIECRJVUDARDOZ-UHFFFAOYSA-N
Compound name
2-[4-(oxiran-2-ylmethoxy)phenoxy]acetonitrile
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 146.7
[M+Na]+ 228.06312 159.9
[M+NH4]+ 223.10772 151.9
[M+K]+ 244.03706 152.2
[M-H]- 204.06662 149.7
[M+Na-2H]- 226.04857 153.1
[M]+ 205.07335 149.6
[M]- 205.07445 149.6
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.