CID 235913

2-(4-methoxyphenyl)succinic acid

Structural Information

Molecular Formula
C11H12O5
SMILES
COC1=CC=C(C=C1)C(CC(=O)O)C(=O)O
InChI
InChI=1S/C11H12O5/c1-16-8-4-2-7(3-5-8)9(11(14)15)6-10(12)13/h2-5,9H,6H2,1H3,(H,12,13)(H,14,15)
InChIKey
SPOXAJHVFXSERN-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)butanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

224.06847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07575 146.6
[M+Na]+ 247.05769 152.7
[M-H]- 223.06119 147.5
[M+NH4]+ 242.10229 163.0
[M+K]+ 263.03163 151.6
[M+H-H2O]+ 207.06573 140.8
[M+HCOO]- 269.06667 166.0
[M+CH3COO]- 283.08232 184.7
[M+Na-2H]- 245.04314 148.4
[M]+ 224.06792 147.8
[M]- 224.06902 147.8
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