CID 68846399

Schembl3937368

Structural Information

Molecular Formula
C14H14O4
SMILES
CC(C1=CC(=C(C=C1)O)O)C2=CC(=C(C=C2)O)O
InChI
InChI=1S/C14H14O4/c1-8(9-2-4-11(15)13(17)6-9)10-3-5-12(16)14(18)7-10/h2-8,15-18H,1H3
InChIKey
RSJXTOCDRRJOTJ-UHFFFAOYSA-N
Compound name
4-[1-(3,4-dihydroxyphenyl)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

246.0892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.096476 153.6
[M+Na]+ 269.078418 161.5
[M-H]- 245.081924 156.0
[M+NH4]+ 264.123023 168.5
[M+K]+ 285.052358 157.3
[M+H-H2O]+ 229.086460 147.5
[M+HCOO]- 291.087401 171.7
[M+CH3COO]- 305.103051 186.3
[M+Na-2H]- 267.063866 155.7
[M]+ 246.08865142 152.0
[M]- 246.08974858 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe