CID 28818

17874-34-9

Structural Information

Molecular Formula
C15H18O2
SMILES
CC1=CC2=C(C(=C1)C(C)(C)C)OC(=O)C=C2C
InChI
InChI=1S/C15H18O2/c1-9-6-11-10(2)8-13(16)17-14(11)12(7-9)15(3,4)5/h6-8H,1-5H3
InChIKey
SIOLFBILQBRZOC-UHFFFAOYSA-N
Compound name
8-tert-butyl-4,6-dimethylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

19
Patents

230.13068 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.13796 149.9
[M+Na]+ 253.11990 160.9
[M-H]- 229.12340 156.4
[M+NH4]+ 248.16450 169.1
[M+K]+ 269.09384 159.0
[M+H-H2O]+ 213.12794 144.6
[M+HCOO]- 275.12888 170.6
[M+CH3COO]- 289.14453 194.6
[M+Na-2H]- 251.10535 157.2
[M]+ 230.13013 154.7
[M]- 230.13123 154.7
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