CID 10059806

4-[(3,4-dihydroxyphenyl)methyl]benzene-1,2-diol

Structural Information

Molecular Formula
C13H12O4
SMILES
C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C13H12O4/c14-10-3-1-8(6-12(10)16)5-9-2-4-11(15)13(17)7-9/h1-4,6-7,14-17H,5H2
InChIKey
GGOBECRWBXYXEY-UHFFFAOYSA-N
Compound name
4-[(3,4-dihydroxyphenyl)methyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

124
Patents

232.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.080836 149.0
[M+Na]+ 255.062778 157.7
[M-H]- 231.066284 151.5
[M+NH4]+ 250.107383 164.6
[M+K]+ 271.036718 153.1
[M+H-H2O]+ 215.070820 143.0
[M+HCOO]- 277.071761 168.5
[M+CH3COO]- 291.087411 182.4
[M+Na-2H]- 253.048226 152.9
[M]+ 232.07301142 147.7
[M]- 232.07410858 147.7
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