CID 87787

18780-67-1

Structural Information

Molecular Formula
C12H14O7
SMILES
CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)O)OC
InChI
InChI=1S/C12H14O7/c1-4-18-12(15)19-10-8(16-2)5-7(11(13)14)6-9(10)17-3/h5-6H,4H2,1-3H3,(H,13,14)
InChIKey
KSIOSIYBQLJZIW-UHFFFAOYSA-N
Compound name
4-ethoxycarbonyloxy-3,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

270.07394 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.081216 154.1
[M+Na]+ 293.063158 162.1
[M-H]- 269.066664 157.0
[M+NH4]+ 288.107763 170.1
[M+K]+ 309.037098 162.6
[M+H-H2O]+ 253.071200 147.8
[M+HCOO]- 315.072141 176.1
[M+CH3COO]- 329.087791 194.8
[M+Na-2H]- 291.048606 156.2
[M]+ 270.07339142 161.8
[M]- 270.07448858 161.8
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