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

8
Patents

208.07356 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 143.8
[M+Na]+ 231.062778 150.2
[M-H]- 207.066284 147.4
[M+NH4]+ 226.107383 162.4
[M+K]+ 247.036718 150.2
[M+H-H2O]+ 191.070820 137.6
[M+HCOO]- 253.071761 166.1
[M+CH3COO]- 267.087411 185.0
[M+Na-2H]- 229.048226 147.4
[M]+ 208.07301142 146.8
[M]- 208.07410858 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