CID 15357568

1-(acetyloxy)ethyl benzoate

Structural Information

Molecular Formula
C11H12O4
SMILES
CC(OC(=O)C)OC(=O)C1=CC=CC=C1
InChI
InChI=1S/C11H12O4/c1-8(12)14-9(2)15-11(13)10-6-4-3-5-7-10/h3-7,9H,1-2H3
InChIKey
WZGUBXUFLUSBPY-UHFFFAOYSA-N
Compound name
1-acetyloxyethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

208.07356 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 143.8
[M+Na]+ 231.06278 150.2
[M-H]- 207.06628 147.4
[M+NH4]+ 226.10738 162.4
[M+K]+ 247.03672 150.2
[M+H-H2O]+ 191.07082 137.6
[M+HCOO]- 253.07176 166.1
[M+CH3COO]- 267.08741 185.0
[M+Na-2H]- 229.04823 147.4
[M]+ 208.07301 146.8
[M]- 208.07411 146.8
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