CID 5459789

(1s,2r)-3-phenylcyclohexa-3,5-diene-1,2-diol

Structural Information

Molecular Formula
C12H12O2
SMILES
C1=CC=C(C=C1)C2=CC=C[C@@H]([C@@H]2O)O
InChI
InChI=1S/C12H12O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,11-14H/t11-,12+/m0/s1
InChIKey
UMAHGMFKBJHGME-NWDGAFQWSA-N
Compound name
(1S,2R)-3-phenylcyclohexa-3,5-diene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

29
Patents

188.08372 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 138.9
[M+Na]+ 211.07294 146.4
[M-H]- 187.07644 143.3
[M+NH4]+ 206.11754 157.3
[M+K]+ 227.04688 142.5
[M+H-H2O]+ 171.08098 132.8
[M+HCOO]- 233.08192 160.1
[M+CH3COO]- 247.09757 177.5
[M+Na-2H]- 209.05839 144.8
[M]+ 188.08317 135.9
[M]- 188.08427 135.9
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

No patent data available for this compound.