CID 89832

Ethyl 2-hydroxy-5-methoxybenzoate

Structural Information

Molecular Formula
C10H12O4
SMILES
CCOC(=O)C1=C(C=CC(=C1)OC)O
InChI
InChI=1S/C10H12O4/c1-3-14-10(12)8-6-7(13-2)4-5-9(8)11/h4-6,11H,3H2,1-2H3
InChIKey
QFDVMOCQOGCDKA-UHFFFAOYSA-N
Compound name
ethyl 2-hydroxy-5-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

37
Patents

196.07356 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 139.3
[M+Na]+ 219.06278 147.7
[M-H]- 195.06628 142.2
[M+NH4]+ 214.10738 158.4
[M+K]+ 235.03672 146.8
[M+H-H2O]+ 179.07082 133.8
[M+HCOO]- 241.07176 162.2
[M+CH3COO]- 255.08741 181.5
[M+Na-2H]- 217.04823 144.0
[M]+ 196.07301 142.9
[M]- 196.07411 142.9
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