CID 14491513

2-phenyl-2-(propan-2-yl)oxirane

Structural Information

Molecular Formula
C11H14O
SMILES
CC(C)C1(CO1)C2=CC=CC=C2
InChI
InChI=1S/C11H14O/c1-9(2)11(8-12-11)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
InChIKey
VJOWUFINYRBNJV-UHFFFAOYSA-N
Compound name
2-phenyl-2-propan-2-yloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

162.10446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 133.4
[M+Na]+ 185.093678 142.5
[M-H]- 161.097184 142.0
[M+NH4]+ 180.138283 150.0
[M+K]+ 201.067618 142.8
[M+H-H2O]+ 145.101720 127.6
[M+HCOO]- 207.102661 155.9
[M+CH3COO]- 221.118311 181.7
[M+Na-2H]- 183.079126 142.0
[M]+ 162.10391142 137.0
[M]- 162.10500858 137.0
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