CID 122706379

(1s,2s)-3-phenoxycyclohexa-3,5-diene-1,2-diol

Structural Information

Molecular Formula
C12H12O3
SMILES
C1=CC=C(C=C1)OC2=CC=C[C@@H]([C@@H]2O)O
InChI
InChI=1S/C12H12O3/c13-10-7-4-8-11(12(10)14)15-9-5-2-1-3-6-9/h1-8,10,12-14H/t10-,12-/m0/s1
InChIKey
NNRRBGDYLHIAGC-JQWIXIFHSA-N
Compound name
(1S,2S)-3-phenoxycyclohexa-3,5-diene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

204.07864 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08592 143.2
[M+Na]+ 227.06786 157.0
[M+NH4]+ 222.11246 151.8
[M+K]+ 243.04180 150.4
[M-H]- 203.07136 146.8
[M+Na-2H]- 225.05331 151.6
[M]+ 204.07809 146.2
[M]- 204.07919 146.2
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

No patent data available for this compound.