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
2
Annotation Hits

1
References

271
Patents

178.09938 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 137.0
[M+Na]+ 201.088598 145.7
[M-H]- 177.092104 145.1
[M+NH4]+ 196.133203 151.1
[M+K]+ 217.062538 144.8
[M+H-H2O]+ 161.096640 129.9
[M+HCOO]- 223.097581 161.0
[M+CH3COO]- 237.113231 183.2
[M+Na-2H]- 199.074046 145.7
[M]+ 178.09883142 142.2
[M]- 178.09992858 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe