CID 75152

4-methoxyisophthalic acid

Structural Information

Molecular Formula
C9H8O5
SMILES
COC1=C(C=C(C=C1)C(=O)O)C(=O)O
InChI
InChI=1S/C9H8O5/c1-14-7-3-2-5(8(10)11)4-6(7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey
JIICYHFLIOGGHE-UHFFFAOYSA-N
Compound name
4-methoxybenzene-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

212
Patents

196.03717 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.04445 138.6
[M+Na]+ 219.02639 149.2
[M+NH4]+ 214.07099 144.4
[M+K]+ 235.00033 146.3
[M-H]- 195.02989 137.5
[M+Na-2H]- 217.01184 142.4
[M]+ 196.03662 139.4
[M]- 196.03772 139.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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