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]+ 206.081176 137.5
[M+Na]+ 228.063118 153.1
[M-H]- 204.066624 146.4
[M+NH4]+ 223.107723 151.0
[M+K]+ 244.037058 148.4
[M+H-H2O]+ 188.071160 126.8
[M+HCOO]- 250.072101 159.8
[M+CH3COO]- 264.087751 198.8
[M+Na-2H]- 226.048566 146.8
[M]+ 205.07335142 140.7
[M]- 205.07444858 140.7
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.