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]+ 239.091396 148.9
[M+Na]+ 261.073338 157.2
[M-H]- 237.076844 151.8
[M+NH4]+ 256.117943 166.3
[M+K]+ 277.047278 156.4
[M+H-H2O]+ 221.081380 143.1
[M+HCOO]- 283.082321 170.5
[M+CH3COO]- 297.097971 191.0
[M+Na-2H]- 259.058786 150.7
[M]+ 238.08357142 153.7
[M]- 238.08466858 153.7
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.