CID 54935835

2-(3-methoxypropoxy)-4-propoxybenzoic acid

Structural Information

Molecular Formula
C14H20O5
SMILES
CCCOC1=CC(=C(C=C1)C(=O)O)OCCCOC
InChI
InChI=1S/C14H20O5/c1-3-7-18-11-5-6-12(14(15)16)13(10-11)19-9-4-8-17-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,15,16)
InChIKey
WHHAHBPWUJTQAG-UHFFFAOYSA-N
Compound name
2-(3-methoxypropoxy)-4-propoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.13107 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.138346 160.6
[M+Na]+ 291.120288 166.9
[M-H]- 267.123794 162.5
[M+NH4]+ 286.164893 176.5
[M+K]+ 307.094228 165.6
[M+H-H2O]+ 251.128330 153.8
[M+HCOO]- 313.129271 182.2
[M+CH3COO]- 327.144921 196.3
[M+Na-2H]- 289.105736 163.1
[M]+ 268.13052142 167.1
[M]- 268.13161858 167.1
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

No patent data available for this compound.