CID 13661813

Spiro[4.4]non-3-en-2-one

Structural Information

Molecular Formula
C9H12O
SMILES
C1CCC2(C1)CC(=O)C=C2
InChI
InChI=1S/C9H12O/c10-8-3-6-9(7-8)4-1-2-5-9/h3,6H,1-2,4-5,7H2
InChIKey
ZZOFYRXWBRWEFJ-UHFFFAOYSA-N
Compound name
spiro[4.4]non-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

136.08882 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.096096 130.1
[M+Na]+ 159.078038 137.6
[M-H]- 135.081544 135.8
[M+NH4]+ 154.122643 157.4
[M+K]+ 175.051978 135.7
[M+H-H2O]+ 119.086080 125.6
[M+HCOO]- 181.087021 153.7
[M+CH3COO]- 195.102671 169.6
[M+Na-2H]- 157.063486 134.4
[M]+ 136.08827142 126.4
[M]- 136.08936858 126.4
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