CID 115622

63991-86-6

Structural Information

Molecular Formula
C14H18O5
SMILES
CC1=CC=CC=C1OCC(COC(=O)C)OC(=O)C
InChI
InChI=1S/C14H18O5/c1-10-6-4-5-7-14(10)18-9-13(19-12(3)16)8-17-11(2)15/h4-7,13H,8-9H2,1-3H3
InChIKey
CVMSKRHCTWCITE-UHFFFAOYSA-N
Compound name
[2-acetyloxy-3-(2-methylphenoxy)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.11542 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12270 159.8
[M+Na]+ 289.10464 165.6
[M-H]- 265.10814 163.1
[M+NH4]+ 284.14924 176.2
[M+K]+ 305.07858 165.6
[M+H-H2O]+ 249.11268 153.0
[M+HCOO]- 311.11362 181.2
[M+CH3COO]- 325.12927 197.2
[M+Na-2H]- 287.09009 161.1
[M]+ 266.11487 165.7
[M]- 266.11597 165.7
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.