CID 145915581

2402830-45-7

Structural Information

Molecular Formula
C8H12O
SMILES
CC(=O)C1CC2(C1)CC2
InChI
InChI=1S/C8H12O/c1-6(9)7-4-8(5-7)2-3-8/h7H,2-5H2,1H3
InChIKey
VOAGBHWOCVGVSG-UHFFFAOYSA-N
Compound name
1-spiro[2.3]hexan-5-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.09609 124.9
[M+Na]+ 147.07803 133.1
[M-H]- 123.08153 131.9
[M+NH4]+ 142.12263 138.5
[M+K]+ 163.05197 134.9
[M+H-H2O]+ 107.08607 116.2
[M+HCOO]- 169.08701 145.8
[M+CH3COO]- 183.10266 178.8
[M+Na-2H]- 145.06348 131.6
[M]+ 124.08826 134.6
[M]- 124.08936 134.6
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

No patent data available for this compound.