CID 3016220

40786-25-2

Structural Information

Molecular Formula
C13H18O2
SMILES
CC(C)(C)C1=CC=CC=C1OCC2CO2
InChI
InChI=1S/C13H18O2/c1-13(2,3)11-6-4-5-7-12(11)15-9-10-8-14-10/h4-7,10H,8-9H2,1-3H3
InChIKey
UZYFEQIMORYGRW-UHFFFAOYSA-N
Compound name
2-[(2-tert-butylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2204
Patents

206.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 145.1
[M+Na]+ 229.119898 154.3
[M-H]- 205.123404 153.6
[M+NH4]+ 224.164503 158.6
[M+K]+ 245.093838 153.3
[M+H-H2O]+ 189.127940 138.6
[M+HCOO]- 251.128881 166.9
[M+CH3COO]- 265.144531 189.8
[M+Na-2H]- 227.105346 152.8
[M]+ 206.13013142 150.9
[M]- 206.13122858 150.9
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