CID 347794

Methyl 2-ethoxybenzoate

Structural Information

Molecular Formula
C10H12O3
SMILES
CCOC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C10H12O3/c1-3-13-9-7-5-4-6-8(9)10(11)12-2/h4-7H,3H2,1-2H3
InChIKey
QAYQKAPOTVSWLS-UHFFFAOYSA-N
Compound name
methyl 2-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

409
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

No literature data available for this compound.

Patent stripe

patents stripe