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]+ 255.174346 159.4
[M+Na]+ 277.156288 169.6
[M-H]- 253.159794 160.7
[M+NH4]+ 272.200893 187.9
[M+K]+ 293.130228 164.8
[M+H-H2O]+ 237.164330 152.7
[M+HCOO]- 299.165271 171.9
[M+CH3COO]- 313.180921 171.4
[M+Na-2H]- 275.141736 169.5
[M]+ 254.16652142 165.3
[M]- 254.16761858 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.