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
2
Annotation Hits

0
References

63
Patents

152.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.127396 133.6
[M+Na]+ 175.109338 141.4
[M-H]- 151.112844 136.5
[M+NH4]+ 170.153943 162.2
[M+K]+ 191.083278 139.2
[M+H-H2O]+ 135.117380 130.0
[M+HCOO]- 197.118321 152.8
[M+CH3COO]- 211.133971 176.1
[M+Na-2H]- 173.094786 140.4
[M]+ 152.11957142 131.2
[M]- 152.12066858 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