CID 2736772

4-methoxy-3-propoxybenzoic acid

Structural Information

Molecular Formula
C11H14O4
SMILES
CCCOC1=C(C=CC(=C1)C(=O)O)OC
InChI
InChI=1S/C11H14O4/c1-3-6-15-10-7-8(11(12)13)4-5-9(10)14-2/h4-5,7H,3,6H2,1-2H3,(H,12,13)
InChIKey
PGFBXGVRMFTYGX-UHFFFAOYSA-N
Compound name
4-methoxy-3-propoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

210.0892 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 143.8
[M+Na]+ 233.07842 151.7
[M-H]- 209.08192 146.4
[M+NH4]+ 228.12302 162.3
[M+K]+ 249.05236 150.5
[M+H-H2O]+ 193.08646 138.0
[M+HCOO]- 255.08740 166.3
[M+CH3COO]- 269.10305 185.2
[M+Na-2H]- 231.06387 148.0
[M]+ 210.08865 147.9
[M]- 210.08975 147.9
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