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

66
Patents

192.11504 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.122316 140.8
[M+Na]+ 215.104258 149.6
[M-H]- 191.107764 149.2
[M+NH4]+ 210.148863 154.5
[M+K]+ 231.078198 148.9
[M+H-H2O]+ 175.112300 133.9
[M+HCOO]- 237.113241 163.4
[M+CH3COO]- 251.128891 188.0
[M+Na-2H]- 213.089706 147.1
[M]+ 192.11449142 146.1
[M]- 192.11558858 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