CID 51060070

2,3,5,6-tetramethyl-4-(2-oxiranylmethoxy)phenyl acetate

Structural Information

Molecular Formula
C15H20O4
SMILES
CC1=C(C(=C(C(=C1OCC2CO2)C)C)OC(=O)C)C
InChI
InChI=1S/C15H20O4/c1-8-10(3)15(19-12(5)16)11(4)9(2)14(8)18-7-13-6-17-13/h13H,6-7H2,1-5H3
InChIKey
CJKLXWZTOVEVHQ-UHFFFAOYSA-N
Compound name
[2,3,5,6-tetramethyl-4-(oxiran-2-ylmethoxy)phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 159.3
[M+Na]+ 287.12539 173.7
[M+NH4]+ 282.16999 167.0
[M+K]+ 303.09933 170.0
[M-H]- 263.12889 170.0
[M+Na-2H]- 285.11084 166.6
[M]+ 264.13562 165.6
[M]- 264.13672 165.6
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

No patent data available for this compound.