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

33
Patents

124.08881 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 120.8
[M+Na]+ 147.078028 126.8
[M-H]- 123.081534 126.6
[M+NH4]+ 142.122633 140.5
[M+K]+ 163.051968 128.2
[M+H-H2O]+ 107.086070 112.5
[M+HCOO]- 169.087011 142.3
[M+CH3COO]- 183.102661 172.2
[M+Na-2H]- 145.063476 126.9
[M]+ 124.08826142 125.9
[M]- 124.08935858 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