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]+ 217.12232 148.0
[M+Na]+ 239.10426 156.7
[M-H]- 215.10776 152.9
[M+NH4]+ 234.14886 169.4
[M+K]+ 255.07820 152.9
[M+H-H2O]+ 199.11230 142.7
[M+HCOO]- 261.11324 168.5
[M+CH3COO]- 275.12889 182.9
[M+Na-2H]- 237.08971 155.0
[M]+ 216.11449 146.5
[M]- 216.11559 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.