CID 53422948

Einecs 284-818-5

Structural Information

Molecular Formula
C15H26O
SMILES
CC1CCC2C(CC2(C)C)C(C(=O)CC1)C
InChI
InChI=1S/C15H26O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h10-13H,5-9H2,1-4H3
InChIKey
QZGLJLUOIMQJAQ-UHFFFAOYSA-N
Compound name
2,6,10,10-tetramethylbicyclo[7.2.0]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.19836 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 147.1
[M+Na]+ 245.187578 158.6
[M-H]- 221.191084 151.3
[M+NH4]+ 240.232183 151.7
[M+K]+ 261.161518 153.3
[M+H-H2O]+ 205.195620 143.5
[M+HCOO]- 267.196561 153.3
[M+CH3COO]- 281.212211 154.9
[M+Na-2H]- 243.173026 157.9
[M]+ 222.19781142 152.4
[M]- 222.19890858 152.4
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.