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]+ 269.13835 160.6
[M+Na]+ 291.12029 166.9
[M-H]- 267.12379 162.5
[M+NH4]+ 286.16489 176.5
[M+K]+ 307.09423 165.6
[M+H-H2O]+ 251.12833 153.8
[M+HCOO]- 313.12927 182.2
[M+CH3COO]- 327.14492 196.3
[M+Na-2H]- 289.10574 163.1
[M]+ 268.13052 167.1
[M]- 268.13162 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.