CID 81258

4-(2-acetoxyethoxy)toluene

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1=CC=C(C=C1)OCCOC(=O)C
InChI
InChI=1S/C11H14O3/c1-9-3-5-11(6-4-9)14-8-7-13-10(2)12/h3-6H,7-8H2,1-2H3
InChIKey
ZJMLZGKLUMJGSL-UHFFFAOYSA-N
Compound name
2-(4-methylphenoxy)ethyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

65
Patents

194.0943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 141.8
[M+Na]+ 217.08352 154.1
[M+NH4]+ 212.12812 149.6
[M+K]+ 233.05746 148.0
[M-H]- 193.08702 143.2
[M+Na-2H]- 215.06897 148.0
[M]+ 194.09375 143.8
[M]- 194.09485 143.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe