CID 67145

5,5'-methylenedisalicylic acid

Structural Information

Molecular Formula
C15H12O6
SMILES
C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O
InChI
InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)
InChIKey
JWQFKVGACKJIAV-UHFFFAOYSA-N
Compound name
5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

1080
Patents

288.0634 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.070676 161.0
[M+Na]+ 311.052618 168.3
[M-H]- 287.056124 163.2
[M+NH4]+ 306.097223 173.7
[M+K]+ 327.026558 164.8
[M+H-H2O]+ 271.060660 154.3
[M+HCOO]- 333.061601 178.5
[M+CH3COO]- 347.077251 193.5
[M+Na-2H]- 309.038066 161.6
[M]+ 288.06285142 160.6
[M]- 288.06394858 160.6
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