CID 21743794

32750-14-4

Structural Information

Molecular Formula
C14H16O2
SMILES
CC1(C=CC=C(C1(O)O)C2=CC=CC=C2)C
InChI
InChI=1S/C14H16O2/c1-13(2)10-6-9-12(14(13,15)16)11-7-4-3-5-8-11/h3-10,15-16H,1-2H3
InChIKey
YKCYZSJMBZVXGN-UHFFFAOYSA-N
Compound name
6,6-dimethyl-2-phenylcyclohexa-2,4-diene-1,1-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.122316 148.0
[M+Na]+ 239.104258 156.7
[M-H]- 215.107764 152.9
[M+NH4]+ 234.148863 169.4
[M+K]+ 255.078198 152.9
[M+H-H2O]+ 199.112300 142.7
[M+HCOO]- 261.113241 168.5
[M+CH3COO]- 275.128891 182.9
[M+Na-2H]- 237.089706 155.0
[M]+ 216.11449142 146.5
[M]- 216.11558858 146.5
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.