CID 81784

Ethyl 2-methoxybenzoate

Structural Information

Molecular Formula
C10H12O3
SMILES
CCOC(=O)C1=CC=CC=C1OC
InChI
InChI=1S/C10H12O3/c1-3-13-10(11)8-6-4-5-7-9(8)12-2/h4-7H,3H2,1-2H3
InChIKey
FNODWEPAWIJGPM-UHFFFAOYSA-N
Compound name
ethyl 2-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

1079
Patents

180.07864 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 136.4
[M+Na]+ 203.067858 144.4
[M-H]- 179.071364 140.4
[M+NH4]+ 198.112463 156.7
[M+K]+ 219.041798 143.8
[M+H-H2O]+ 163.075900 130.7
[M+HCOO]- 225.076841 160.7
[M+CH3COO]- 239.092491 180.8
[M+Na-2H]- 201.053306 142.3
[M]+ 180.07809142 140.1
[M]- 180.07918858 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

literature stripe

Patent stripe

patents stripe