CID 13089917

Spiro[3.4]octan-6-one

Structural Information

Molecular Formula
C8H12O
SMILES
C1CC2(C1)CCC(=O)C2
InChI
InChI=1S/C8H12O/c9-7-2-5-8(6-7)3-1-4-8/h1-6H2
InChIKey
WLPJOKYIFFQOLB-UHFFFAOYSA-N
Compound name
spiro[3.4]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

124.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 120.8
[M+Na]+ 147.07803 126.8
[M-H]- 123.08153 126.6
[M+NH4]+ 142.12263 140.5
[M+K]+ 163.05197 128.2
[M+H-H2O]+ 107.08607 112.5
[M+HCOO]- 169.08701 142.3
[M+CH3COO]- 183.10266 172.2
[M+Na-2H]- 145.06348 126.9
[M]+ 124.08826 125.9
[M]- 124.08936 125.9
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

patents stripe