CID 71716

Fpl-52791

Structural Information

Molecular Formula
C18H22O4
SMILES
CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OC(=CC2=O)C(=O)O
InChI
InChI=1S/C18H22O4/c1-17(2,3)10-7-11-13(19)9-14(16(20)21)22-15(11)12(8-10)18(4,5)6/h7-9H,1-6H3,(H,20,21)
InChIKey
CJTURQGHQPDNDA-UHFFFAOYSA-N
Compound name
6,8-ditert-butyl-4-oxochromene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

50
Patents

302.1518 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15908 168.3
[M+Na]+ 325.14102 177.6
[M-H]- 301.14452 173.2
[M+NH4]+ 320.18562 183.6
[M+K]+ 341.11496 176.0
[M+H-H2O]+ 285.14906 163.1
[M+HCOO]- 347.15000 184.4
[M+CH3COO]- 361.16565 205.4
[M+Na-2H]- 323.12647 173.8
[M]+ 302.15125 173.3
[M]- 302.15235 173.3
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.