CID 3684112

1,8,10,10,11,12-hexamethyl-tricyclo(6.2.2.0(2,7))dodeca-2,4,6,11-tetraen-9-one

Structural Information

Molecular Formula
C18H22O
SMILES
CC1=C(C2(C3=CC=CC=C3C1(C(=O)C2(C)C)C)C)C
InChI
InChI=1S/C18H22O/c1-11-12(2)18(6)14-10-8-7-9-13(14)17(11,5)15(19)16(18,3)4/h7-10H,1-6H3
InChIKey
WHGBOLHKIDWTBX-UHFFFAOYSA-N
Compound name
1,8,10,10,11,12-hexamethyltricyclo[6.2.2.02,7]dodeca-2,4,6,11-tetraen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17435 159.4
[M+Na]+ 277.15629 169.6
[M-H]- 253.15979 160.7
[M+NH4]+ 272.20089 187.9
[M+K]+ 293.13023 164.8
[M+H-H2O]+ 237.16433 152.7
[M+HCOO]- 299.16527 171.9
[M+CH3COO]- 313.18092 171.4
[M+Na-2H]- 275.14174 169.5
[M]+ 254.16652 165.3
[M]- 254.16762 165.3
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.