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]+ 311.12778 169.8
[M+Na]+ 333.10972 180.0
[M-H]- 309.11322 176.2
[M+NH4]+ 328.15432 188.7
[M+K]+ 349.08366 175.1
[M+H-H2O]+ 293.11776 164.6
[M+HCOO]- 355.11870 188.7
[M+CH3COO]- 369.13435 204.4
[M+Na-2H]- 331.09517 170.1
[M]+ 310.11995 171.7
[M]- 310.12105 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.