CID 12153480

Spiro[2.5]octan-5-one

Structural Information

Molecular Formula
C8H12O
SMILES
C1CC(=O)CC2(C1)CC2
InChI
InChI=1S/C8H12O/c9-7-2-1-3-8(6-7)4-5-8/h1-6H2
InChIKey
QFRPTKNBKJSYAT-UHFFFAOYSA-N
Compound name
spiro[2.5]octan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
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 127.6
[M+Na]+ 147.07803 136.0
[M-H]- 123.08153 134.1
[M+NH4]+ 142.12263 147.0
[M+K]+ 163.05197 135.0
[M+H-H2O]+ 107.08607 122.5
[M+HCOO]- 169.08701 148.5
[M+CH3COO]- 183.10266 172.9
[M+Na-2H]- 145.06348 135.2
[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