CID 258618

Spiro[2.4]heptan-4-one

Structural Information

Molecular Formula
C7H10O
SMILES
C1CC(=O)C2(C1)CC2
InChI
InChI=1S/C7H10O/c8-6-2-1-3-7(6)4-5-7/h1-5H2
InChIKey
JLRNROCUCFGKNE-UHFFFAOYSA-N
Compound name
spiro[2.4]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

110.073166 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 122.7
[M+Na]+ 133.06238 132.4
[M-H]- 109.06589 129.5
[M+NH4]+ 128.10699 144.4
[M+K]+ 149.03632 131.1
[M+H-H2O]+ 93.070426 118.3
[M+HCOO]- 155.07137 145.7
[M+CH3COO]- 169.08702 169.8
[M+Na-2H]- 131.04783 129.6
[M]+ 110.07262 122.7
[M]- 110.07371 122.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe