CID 106658

1,4-methanoazulen-7(1h)-one, octahydro-1,5,5,8a-tetramethyl-

Structural Information

Molecular Formula
C15H24O
SMILES
CC1(CC(=O)CC2(C3C1CC2(CC3)C)C)C
InChI
InChI=1S/C15H24O/c1-13(2)7-10(16)8-15(4)11-5-6-14(15,3)9-12(11)13/h11-12H,5-9H2,1-4H3
InChIKey
BMLTXHGGEJNZIS-UHFFFAOYSA-N
Compound name
2,6,6,9-tetramethyltricyclo[5.4.0.02,9]undecan-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

37
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 151.9
[M+Na]+ 243.171928 159.2
[M-H]- 219.175434 157.4
[M+NH4]+ 238.216533 180.3
[M+K]+ 259.145868 155.3
[M+H-H2O]+ 203.179970 148.6
[M+HCOO]- 265.180911 168.3
[M+CH3COO]- 279.196561 164.1
[M+Na-2H]- 241.157376 154.4
[M]+ 220.18216142 148.1
[M]- 220.18325858 148.1
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