CID 2735652

3-butoxy-4-methoxybenzoic acid

Structural Information

Molecular Formula
C12H16O4
SMILES
CCCCOC1=C(C=CC(=C1)C(=O)O)OC
InChI
InChI=1S/C12H16O4/c1-3-4-7-16-11-8-9(12(13)14)5-6-10(11)15-2/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKey
MVXLURPNIOZKDD-UHFFFAOYSA-N
Compound name
3-butoxy-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

224.10486 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11214 149.3
[M+Na]+ 247.09408 160.7
[M+NH4]+ 242.13868 156.0
[M+K]+ 263.06802 155.4
[M-H]- 223.09758 149.7
[M+Na-2H]- 245.07953 153.9
[M]+ 224.10431 150.8
[M]- 224.10541 150.8
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