CID 6483403

2-methoxy-4-propoxybenzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

210.0892 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe