CID 109275

1,6,7,8-tetrahydro-1,4,6,6,8,8-hexamethyl-as-indacen-3(2h)-one

Structural Information

Molecular Formula
C18H24O
SMILES
CC1CC(=O)C2=C1C3=C(C=C2C)C(CC3(C)C)(C)C
InChI
InChI=1S/C18H24O/c1-10-7-12-16(18(5,6)9-17(12,3)4)15-11(2)8-13(19)14(10)15/h7,11H,8-9H2,1-6H3
InChIKey
BISFKEVJRXXYRM-UHFFFAOYSA-N
Compound name
1,4,6,6,8,8-hexamethyl-2,7-dihydro-1H-as-indacen-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

256.1827 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.18998 158.4
[M+Na]+ 279.17192 170.4
[M-H]- 255.17542 165.2
[M+NH4]+ 274.21652 186.5
[M+K]+ 295.14586 165.2
[M+H-H2O]+ 239.17996 155.4
[M+HCOO]- 301.18090 178.6
[M+CH3COO]- 315.19655 201.7
[M+Na-2H]- 277.15737 159.5
[M]+ 256.18215 161.3
[M]- 256.18325 161.3
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

patents stripe