CID 6917466

85960-55-0

Structural Information

Molecular Formula
C11H14O2
SMILES
C1[C@@H](O1)CCOCC2=CC=CC=C2
InChI
InChI=1S/C11H14O2/c1-2-4-10(5-3-1)8-12-7-6-11-9-13-11/h1-5,11H,6-9H2/t11-/m0/s1
InChIKey
WEEINLJFNLBGTR-NSHDSACASA-N
Compound name
(2S)-2-(2-phenylmethoxyethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

326
Patents

178.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.10666 139.9
[M+Na]+ 201.08860 154.5
[M+NH4]+ 196.13320 149.6
[M+K]+ 217.06254 148.8
[M-H]- 177.09210 151.7
[M+Na-2H]- 199.07405 150.3
[M]+ 178.09883 146.5
[M]- 178.09993 146.5
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.