CID 135955

2-(2-phenylethyl)oxirane

Structural Information

Molecular Formula
C10H12O
SMILES
C1C(O1)CCC2=CC=CC=C2
InChI
InChI=1S/C10H12O/c1-2-4-9(5-3-1)6-7-10-8-11-10/h1-5,10H,6-8H2
InChIKey
JVGAGAVQROERFI-UHFFFAOYSA-N
Compound name
2-(2-phenylethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

595
Patents

148.08882 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 128.7
[M+Na]+ 171.07804 137.8
[M-H]- 147.08154 137.0
[M+NH4]+ 166.12264 144.0
[M+K]+ 187.05198 136.9
[M+H-H2O]+ 131.08608 122.0
[M+HCOO]- 193.08702 152.8
[M+CH3COO]- 207.10267 178.5
[M+Na-2H]- 169.06349 138.0
[M]+ 148.08827 132.1
[M]- 148.08937 132.1
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