CID 3054438

Brn 2300600

Structural Information

Molecular Formula
C19H18O4
SMILES
CC1=C(C(=C(C=C1)C(C)C)O)C2(C(=O)C3=CC=CC=C3C2=O)O
InChI
InChI=1S/C19H18O4/c1-10(2)12-9-8-11(3)15(16(12)20)19(23)17(21)13-6-4-5-7-14(13)18(19)22/h4-10,20,23H,1-3H3
InChIKey
XRNSMTMFLNNOKG-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-6-methyl-3-propan-2-ylphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.127776 169.8
[M+Na]+ 333.109718 180.0
[M-H]- 309.113224 176.2
[M+NH4]+ 328.154323 188.7
[M+K]+ 349.083658 175.1
[M+H-H2O]+ 293.117760 164.6
[M+HCOO]- 355.118701 188.7
[M+CH3COO]- 369.134351 204.4
[M+Na-2H]- 331.095166 170.1
[M]+ 310.11995142 171.7
[M]- 310.12104858 171.7
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.