CID 10997195

2-ethyl-2-phenyloxirane

Structural Information

Molecular Formula
C10H12O
SMILES
CCC1(CO1)C2=CC=CC=C2
InChI
InChI=1S/C10H12O/c1-2-10(8-11-10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey
VDYFBUQWGZXAPA-UHFFFAOYSA-N
Compound name
2-ethyl-2-phenyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

148.08882 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 129.5
[M+Na]+ 171.07804 139.3
[M-H]- 147.08154 138.2
[M+NH4]+ 166.12264 146.7
[M+K]+ 187.05198 139.4
[M+H-H2O]+ 131.08608 123.7
[M+HCOO]- 193.08702 153.2
[M+CH3COO]- 207.10267 178.0
[M+Na-2H]- 169.06349 139.7
[M]+ 148.08827 133.3
[M]- 148.08937 133.3
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