CID 511457

1,6-methanonaphthalen-5(1h)-one, octahydro-

Structural Information

Molecular Formula
C11H16O
SMILES
C1CC2CC3CCC2C(C1)C3=O
InChI
InChI=1S/C11H16O/c12-11-8-4-5-9-7(6-8)2-1-3-10(9)11/h7-10H,1-6H2
InChIKey
MPNWBTNWXJJXJE-UHFFFAOYSA-N
Compound name
tricyclo[5.3.1.03,8]undecan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

164.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 131.9
[M+Na]+ 187.10934 135.2
[M-H]- 163.11284 130.5
[M+NH4]+ 182.15394 156.9
[M+K]+ 203.08328 132.4
[M+H-H2O]+ 147.11738 126.4
[M+HCOO]- 209.11832 142.0
[M+CH3COO]- 223.13397 142.6
[M+Na-2H]- 185.09479 141.3
[M]+ 164.11957 128.9
[M]- 164.12067 128.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.