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 137.5
[M+Na]+ 228.06312 153.1
[M-H]- 204.06662 146.4
[M+NH4]+ 223.10772 151.0
[M+K]+ 244.03706 148.4
[M+H-H2O]+ 188.07116 126.8
[M+HCOO]- 250.07210 159.8
[M+CH3COO]- 264.08775 198.8
[M+Na-2H]- 226.04857 146.8
[M]+ 205.07335 140.7
[M]- 205.07445 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.