CID 562671

Einecs 215-562-4

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(=O)OCC1=CC=CC=C1OC
InChI
InChI=1S/C10H12O3/c1-8(11)13-7-9-5-3-4-6-10(9)12-2/h3-6H,7H2,1-2H3
InChIKey
JALOQIJQRKWTHZ-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

180.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.4
[M+Na]+ 203.06786 144.4
[M-H]- 179.07136 140.4
[M+NH4]+ 198.11246 156.7
[M+K]+ 219.04180 143.8
[M+H-H2O]+ 163.07590 130.7
[M+HCOO]- 225.07684 160.7
[M+CH3COO]- 239.09249 180.8
[M+Na-2H]- 201.05331 142.3
[M]+ 180.07809 140.1
[M]- 180.07919 140.1
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.