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]+ 137.09610 130.1
[M+Na]+ 159.07804 137.6
[M-H]- 135.08154 135.8
[M+NH4]+ 154.12264 157.4
[M+K]+ 175.05198 135.7
[M+H-H2O]+ 119.08608 125.6
[M+HCOO]- 181.08702 153.7
[M+CH3COO]- 195.10267 169.6
[M+Na-2H]- 157.06349 134.4
[M]+ 136.08827 126.4
[M]- 136.08937 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