CID 89726

Dimethyl 4-hydroxyphthalate

Structural Information

Molecular Formula
C10H10O5
SMILES
COC(=O)C1=C(C=C(C=C1)O)C(=O)OC
InChI
InChI=1S/C10H10O5/c1-14-9(12)7-4-3-6(11)5-8(7)10(13)15-2/h3-5,11H,1-2H3
InChIKey
JJXVDRYFBGDXOU-UHFFFAOYSA-N
Compound name
dimethyl 4-hydroxybenzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2943
Patents

210.05283 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 140.7
[M+Na]+ 233.04205 149.0
[M-H]- 209.04555 143.7
[M+NH4]+ 228.08665 159.1
[M+K]+ 249.01599 148.6
[M+H-H2O]+ 193.05009 135.1
[M+HCOO]- 255.05103 163.0
[M+CH3COO]- 269.06668 183.1
[M+Na-2H]- 231.02750 144.2
[M]+ 210.05228 144.3
[M]- 210.05338 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe