CID 85811675

Spiro[4.6]undec-3-en-2-one

Structural Information

Molecular Formula
C11H16O
SMILES
C1CCCC2(CC1)CC(=O)C=C2
InChI
InChI=1S/C11H16O/c12-10-5-8-11(9-10)6-3-1-2-4-7-11/h5,8H,1-4,6-7,9H2
InChIKey
VNDLCYGXBUCRHN-UHFFFAOYSA-N
Compound name
spiro[4.6]undec-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.12012 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 135.2
[M+Na]+ 187.10934 139.0
[M-H]- 163.11284 141.1
[M+NH4]+ 182.15394 157.7
[M+K]+ 203.08328 139.4
[M+H-H2O]+ 147.11738 130.4
[M+HCOO]- 209.11832 155.0
[M+CH3COO]- 223.13397 147.4
[M+Na-2H]- 185.09479 139.4
[M]+ 164.11957 126.9
[M]- 164.12067 126.9
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

No patent data available for this compound.