CID 79023

Diosphenol

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1=C(C(=O)C(CC1)C(C)C)O
InChI
InChI=1S/C10H16O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6,8,11H,4-5H2,1-3H3
InChIKey
QSIMLPCPCXVYDD-UHFFFAOYSA-N
Compound name
2-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

307
Patents

168.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 135.6
[M+Na]+ 191.10426 143.0
[M-H]- 167.10776 138.2
[M+NH4]+ 186.14886 156.2
[M+K]+ 207.07820 141.4
[M+H-H2O]+ 151.11230 131.0
[M+HCOO]- 213.11324 155.2
[M+CH3COO]- 227.12889 179.9
[M+Na-2H]- 189.08971 137.7
[M]+ 168.11449 133.9
[M]- 168.11559 133.9
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

patents stripe