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 158.1
[M+Na]+ 287.12539 169.4
[M-H]- 263.12889 167.4
[M+NH4]+ 282.16999 170.1
[M+K]+ 303.09933 167.8
[M+H-H2O]+ 247.13343 151.4
[M+HCOO]- 309.13437 180.0
[M+CH3COO]- 323.15002 203.8
[M+Na-2H]- 285.11084 160.3
[M]+ 264.13562 168.3
[M]- 264.13672 168.3
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.