CID 17606908

4-(3-methoxypropoxy)benzoic acid

Structural Information

Molecular Formula
C11H14O4
SMILES
COCCCOC1=CC=C(C=C1)C(=O)O
InChI
InChI=1S/C11H14O4/c1-14-7-2-8-15-10-5-3-9(4-6-10)11(12)13/h3-6H,2,7-8H2,1H3,(H,12,13)
InChIKey
CHURMVNLEIRYIC-UHFFFAOYSA-N
Compound name
4-(3-methoxypropoxy)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

210.0892 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.096476 144.6
[M+Na]+ 233.078418 151.5
[M-H]- 209.081924 146.8
[M+NH4]+ 228.123023 162.7
[M+K]+ 249.052358 150.2
[M+H-H2O]+ 193.086460 138.5
[M+HCOO]- 255.087401 167.1
[M+CH3COO]- 269.103051 184.0
[M+Na-2H]- 231.063866 149.4
[M]+ 210.08865142 148.2
[M]- 210.08974858 148.2
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