CID 22397422

3-(2-methoxyethoxy)benzoic acid

Structural Information

Molecular Formula
C10H12O4
SMILES
COCCOC1=CC=CC(=C1)C(=O)O
InChI
InChI=1S/C10H12O4/c1-13-5-6-14-9-4-2-3-8(7-9)10(11)12/h2-4,7H,5-6H2,1H3,(H,11,12)
InChIKey
ZDBKQHIFUZABMJ-UHFFFAOYSA-N
Compound name
3-(2-methoxyethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

196.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 139.9
[M+Na]+ 219.06278 147.2
[M-H]- 195.06628 142.3
[M+NH4]+ 214.10738 158.6
[M+K]+ 235.03672 146.2
[M+H-H2O]+ 179.07082 134.0
[M+HCOO]- 241.07176 162.8
[M+CH3COO]- 255.08741 180.9
[M+Na-2H]- 217.04823 145.2
[M]+ 196.07301 143.2
[M]- 196.07411 143.2
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