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]+ 303.159076 168.3
[M+Na]+ 325.141018 177.6
[M-H]- 301.144524 173.2
[M+NH4]+ 320.185623 183.6
[M+K]+ 341.114958 176.0
[M+H-H2O]+ 285.149060 163.1
[M+HCOO]- 347.150001 184.4
[M+CH3COO]- 361.165651 205.4
[M+Na-2H]- 323.126466 173.8
[M]+ 302.15125142 173.3
[M]- 302.15234858 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.