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
2
Annotation Hits

0
References

33
Patents

220.18271 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 151.9
[M+Na]+ 243.17193 159.2
[M-H]- 219.17543 157.4
[M+NH4]+ 238.21653 180.3
[M+K]+ 259.14587 155.3
[M+H-H2O]+ 203.17997 148.6
[M+HCOO]- 265.18091 168.3
[M+CH3COO]- 279.19656 164.1
[M+Na-2H]- 241.15738 154.4
[M]+ 220.18216 148.1
[M]- 220.18326 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