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
3
Annotation Hits

0
References

13
Patents

256.1827 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.189976 158.4
[M+Na]+ 279.171918 170.4
[M-H]- 255.175424 165.2
[M+NH4]+ 274.216523 186.5
[M+K]+ 295.145858 165.2
[M+H-H2O]+ 239.179960 155.4
[M+HCOO]- 301.180901 178.6
[M+CH3COO]- 315.196551 201.7
[M+Na-2H]- 277.157366 159.5
[M]+ 256.18215142 161.3
[M]- 256.18324858 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