CID 3737141

5296-20-8

Structural Information

Molecular Formula
C12H16O2
SMILES
CC1=C(C(=C(C=C1)C)OCC2CO2)C
InChI
InChI=1S/C12H16O2/c1-8-4-5-9(2)12(10(8)3)14-7-11-6-13-11/h4-5,11H,6-7H2,1-3H3
InChIKey
GRDGVKZFGLIZHQ-UHFFFAOYSA-N
Compound name
2-[(2,3,6-trimethylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 140.3
[M+Na]+ 215.10426 151.2
[M-H]- 191.10776 149.4
[M+NH4]+ 210.14886 154.7
[M+K]+ 231.07820 149.9
[M+H-H2O]+ 175.11230 133.7
[M+HCOO]- 237.11324 163.8
[M+CH3COO]- 251.12889 189.4
[M+Na-2H]- 213.08971 146.5
[M]+ 192.11449 147.1
[M]- 192.11559 147.1
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