CID 89555

1,5-dimethylbicyclo[3.2.1]octan-8-one

Structural Information

Molecular Formula
C10H16O
SMILES
CC12CCCC(C1=O)(CC2)C
InChI
InChI=1S/C10H16O/c1-9-4-3-5-10(2,7-6-9)8(9)11/h3-7H2,1-2H3
InChIKey
MFKQEGZHSFZHAH-UHFFFAOYSA-N
Compound name
1,5-dimethylbicyclo[3.2.1]octan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

152.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.6
[M+Na]+ 175.10934 141.4
[M-H]- 151.11284 136.5
[M+NH4]+ 170.15394 162.2
[M+K]+ 191.08328 139.2
[M+H-H2O]+ 135.11738 130.0
[M+HCOO]- 197.11832 152.8
[M+CH3COO]- 211.13397 176.1
[M+Na-2H]- 173.09479 140.4
[M]+ 152.11957 131.2
[M]- 152.12067 131.2
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