CID 3861961

2-{[2-(propan-2-yl)phenoxy]methyl}oxirane

Structural Information

Molecular Formula
C12H16O2
SMILES
CC(C)C1=CC=CC=C1OCC2CO2
InChI
InChI=1S/C12H16O2/c1-9(2)11-5-3-4-6-12(11)14-8-10-7-13-10/h3-6,9-10H,7-8H2,1-2H3
InChIKey
RTJWCOIBFLXONL-UHFFFAOYSA-N
Compound name
2-[(2-propan-2-ylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

192.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.12232 140.8
[M+Na]+ 215.10426 149.6
[M-H]- 191.10776 149.2
[M+NH4]+ 210.14886 154.5
[M+K]+ 231.07820 148.9
[M+H-H2O]+ 175.11230 133.9
[M+HCOO]- 237.11324 163.4
[M+CH3COO]- 251.12889 188.0
[M+Na-2H]- 213.08971 147.1
[M]+ 192.11449 146.1
[M]- 192.11559 146.1
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

patents stripe