CID 24977129

Spiro[5.5]undec-3-en-2-one

Structural Information

Molecular Formula
C11H16O
SMILES
C1CCC2(CC1)CC=CC(=O)C2
InChI
InChI=1S/C11H16O/c12-10-5-4-8-11(9-10)6-2-1-3-7-11/h4-5H,1-3,6-9H2
InChIKey
OOCQAZITDZDUPD-UHFFFAOYSA-N
Compound name
spiro[5.5]undec-2-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

164.12012 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 136.8
[M+Na]+ 187.10934 141.4
[M-H]- 163.11284 141.5
[M+NH4]+ 182.15394 159.2
[M+K]+ 203.08328 139.3
[M+H-H2O]+ 147.11738 130.8
[M+HCOO]- 209.11832 155.3
[M+CH3COO]- 223.13397 175.8
[M+Na-2H]- 185.09479 142.9
[M]+ 164.11957 129.3
[M]- 164.12067 129.3
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