CID 1268100

3-acetylnoradamantane

Structural Information

Molecular Formula
C11H16O
SMILES
CC(=O)C12C[C@@H]3C[C@H](C1)CC2C3
InChI
InChI=1S/C11H16O/c1-7(12)11-5-8-2-9(6-11)4-10(11)3-8/h8-10H,2-6H2,1H3/t8-,9+,10?,11?
InChIKey
VMCFOTARMDNPPQ-IXBNRNDTSA-N
Compound name
1-[(1S,5R)-3-tricyclo[3.3.1.03,7]nonanyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

164.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 139.8
[M+Na]+ 187.10934 144.8
[M-H]- 163.11284 137.8
[M+NH4]+ 182.15394 170.7
[M+K]+ 203.08328 141.7
[M+H-H2O]+ 147.11738 136.3
[M+HCOO]- 209.11832 152.0
[M+CH3COO]- 223.13397 151.3
[M+Na-2H]- 185.09479 146.4
[M]+ 164.11957 141.6
[M]- 164.12067 141.6
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