CID 16641309

2-(2-ethoxyethoxy)benzoic acid

Structural Information

Molecular Formula
C11H14O4
SMILES
CCOCCOC1=CC=CC=C1C(=O)O
InChI
InChI=1S/C11H14O4/c1-2-14-7-8-15-10-6-4-3-5-9(10)11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKey
QKQIDUFDIUHVFF-UHFFFAOYSA-N
Compound name
2-(2-ethoxyethoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

210.0892 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 145.2
[M+Na]+ 233.07842 156.5
[M+NH4]+ 228.12302 152.1
[M+K]+ 249.05236 151.2
[M-H]- 209.08192 145.6
[M+Na-2H]- 231.06387 150.4
[M]+ 210.08865 146.7
[M]- 210.08975 146.7
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