CID 145908109

2105909-63-3

Structural Information

Molecular Formula
C12H14O5
SMILES
CCOC(=O)C1=C(C=C(C(=C1)C(=O)O)C)OC
InChI
InChI=1S/C12H14O5/c1-4-17-12(15)9-6-8(11(13)14)7(2)5-10(9)16-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKey
DIZICUQXLLAKAS-UHFFFAOYSA-N
Compound name
5-ethoxycarbonyl-4-methoxy-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.08412 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09140 151.0
[M+Na]+ 261.07334 162.0
[M+NH4]+ 256.11794 156.7
[M+K]+ 277.04728 158.3
[M-H]- 237.07684 150.5
[M+Na-2H]- 259.05879 154.5
[M]+ 238.08357 152.1
[M]- 238.08467 152.1
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.