CID 70149

2-methoxy-p-tolyl acetate

Structural Information

Molecular Formula
C10H12O3
SMILES
CC1=CC(=C(C=C1)OC(=O)C)OC
InChI
InChI=1S/C10H12O3/c1-7-4-5-9(13-8(2)11)10(6-7)12-3/h4-6H,1-3H3
InChIKey
OMYVQMNBUXUYLM-UHFFFAOYSA-N
Compound name
(2-methoxy-4-methylphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

120
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 135.4
[M+Na]+ 203.06786 144.4
[M-H]- 179.07136 139.8
[M+NH4]+ 198.11246 156.0
[M+K]+ 219.04180 143.8
[M+H-H2O]+ 163.07590 130.0
[M+HCOO]- 225.07684 159.7
[M+CH3COO]- 239.09249 182.0
[M+Na-2H]- 201.05331 140.7
[M]+ 180.07809 139.5
[M]- 180.07919 139.5
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